[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

C10H15N5O — CID 72882169

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESN[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C1CC1
InChIInChI=1S/C10H15N5O/c11-8-5-15(4-7(8)6-1-2-6)10(16)9-3-12-14-13-9/h3,6-8H,1-2,4-5,11H2,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyQVQISRWYOCHFTO-SFYZADRCSA-N
MW221.26 g/mol
LogP-0.39
Rot. Bonds2

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 72882169) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID72882169
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESN[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C1CC1
InChIInChI=1S/C10H15N5O/c11-8-5-15(4-7(8)6-1-2-6)10(16)9-3-12-14-13-9/h3,6-8H,1-2,4-5,11H2,(H,12,13,14)/t7-,8+/m1/s1
InChIKeyQVQISRWYOCHFTO-SFYZADRCSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
2-[1-(2H-triazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116681175
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72900431
6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 133117266
6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 72912015
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 133115424
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone (CID 72882169) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is N[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C1CC1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is QVQISRWYOCHFTO-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15N5O/c11-8-5-15(4-7(8)6-1-2-6)10(16)9-3-12-14-13-9/h3,6-8H,1-2,4-5,11H2,(H,12,13,14)/t7-,8+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 72882169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).