(3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

C12H17N5O2 — CID 91911154

IUPAC(3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCc1nc([C@@H]2CN(C(=O)C3CC3)C[C@H]2C(N)=O)n[nH]1
InChIInChI=1S/C12H17N5O2/c1-6-14-11(16-15-6)9-5-17(4-8(9)10(13)18)12(19)7-2-3-7/h7-9H,2-5H2,1H3,(H2,13,18)(H,14,15,16)/t8-,9-/m1/s1
InChIKeyHAJWIPYBBIECFM-RKDXNWHRSA-N
MW263.30 g/mol
LogP-0.45
Rot. Bonds3

About (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

(3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (PubChem CID 91911154) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
PubChem CID91911154
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCc1nc([C@@H]2CN(C(=O)C3CC3)C[C@H]2C(N)=O)n[nH]1
InChIInChI=1S/C12H17N5O2/c1-6-14-11(16-15-6)9-5-17(4-8(9)10(13)18)12(19)7-2-3-7/h7-9H,2-5H2,1H3,(H2,13,18)(H,14,15,16)/t8-,9-/m1/s1
InChIKeyHAJWIPYBBIECFM-RKDXNWHRSA-N
XLogP-0.45
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-isobutyl-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 50948113
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-isobutylpyrrolidin-2-one
CID 50956691
1-[2-(Azepan-1-YL)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91911165
N-Methyl-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91911182
1-(2,2-Dimethylpropanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-YL)pyrrolidine-3-carboxamide
CID 91923330
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-sulfanylpropan-1-one
CID 177681198
3-(5-Amino-1H-1,2,4-triazol-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 91704689
3-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1H-1,2,4-triazol-5-amine
CID 45791191
1-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95207918
[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 164642546
4-(Cyclopropylmethyl)-3-isopropyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-YL)propanoyl]-1,4-diazepan-5-one
CID 56874676

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (CID 91911154) is (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is Cc1nc([C@@H]2CN(C(=O)C3CC3)C[C@H]2C(N)=O)n[nH]1.
What is the InChIKey of (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is HAJWIPYBBIECFM-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6-14-11(16-15-6)9-5-17(4-8(9)10(13)18)12(19)7-2-3-7/h7-9H,2-5H2,1H3,(H2,13,18)(H,14,15,16)/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(cyclopropanecarbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).