(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one

C17H25N5O2 — CID 95345350

IUPAC(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2
InChIInChI=1S/C17H25N5O2/c1-11(2)16-19-18-14-10-20(5-6-22(14)16)17(24)13-7-15(23)21(9-13)8-12-3-4-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyDSTLMKFTHHWPHX-ZDUSSCGKSA-N
MW331.42 g/mol
LogP1.00
Rot. Bonds4

About (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one

(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one (PubChem CID 95345350) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
PubChem CID95345350
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESCC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2
InChIInChI=1S/C17H25N5O2/c1-11(2)16-19-18-14-10-20(5-6-22(14)16)17(24)13-7-15(23)21(9-13)8-12-3-4-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyDSTLMKFTHHWPHX-ZDUSSCGKSA-N
XLogP1.00
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-ethyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97196653
(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97119881
1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 118489351
(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95335042
(2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
CID 95111876
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95350600
[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95332533
(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95312317
1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)but-2-en-1-one
CID 154807128
(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95778865
1-[2-oxo-2-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-4-phenylpyrrolidin-2-one
CID 45220276
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one (CID 95345350) is (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one is CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)C2.
What is the InChIKey of (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The InChIKey is DSTLMKFTHHWPHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)16-19-18-14-10-20(5-6-22(14)16)17(24)13-7-15(23)21(9-13)8-12-3-4-12/h11-13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
(4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclopropylmethyl)-4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95345350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).