[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone

C10H15N5O — CID 115301643

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C10H15N5O/c11-7-3-4-15(5-7)10(16)9-12-8(13-14-9)6-1-2-6/h6-7H,1-5,11H2,(H,12,13,14)/t7-/m1/s1
InChIKeyKYVYDEJOCLVAQS-SSDOTTSWSA-N
MW221.26 g/mol
LogP-0.14
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 115301643) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID115301643
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
SMILESN[C@@H]1CCN(C(=O)c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C10H15N5O/c11-7-3-4-15(5-7)10(16)9-12-8(13-14-9)6-1-2-6/h6-7H,1-5,11H2,(H,12,13,14)/t7-/m1/s1
InChIKeyKYVYDEJOCLVAQS-SSDOTTSWSA-N
XLogP-0.14
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone with MolForge

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Related Compounds

[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 113360699
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301600
[(3S)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115302130
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114412324
[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398160
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107225213
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
N-cyclopentyloxy-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 83235867
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone (CID 115301643) is [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone is N[C@@H]1CCN(C(=O)c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is KYVYDEJOCLVAQS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N5O/c11-7-3-4-15(5-7)10(16)9-12-8(13-14-9)6-1-2-6/h6-7H,1-5,11H2,(H,12,13,14)/t7-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 115301643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).