1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

C12H17N5O2 — CID 54885097

IUPAC1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C12H17N5O2/c18-11(13-6-10-14-7-15-16-10)9-2-1-5-17(9)12(19)8-3-4-8/h7-9H,1-6H2,(H,13,18)(H,14,15,16)
InChIKeyOSZOAMURNYOVNU-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.18
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 54885097) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID54885097
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C12H17N5O2/c18-11(13-6-10-14-7-15-16-10)9-2-1-5-17(9)12(19)8-3-4-8/h7-9H,1-6H2,(H,13,18)(H,14,15,16)
InChIKeyOSZOAMURNYOVNU-UHFFFAOYSA-N
XLogP-0.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 154774733
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95509747
1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
CID 167826070
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
1-(cyclohexanecarbonyl)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 46990845
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
1-(cyclopropanecarbonyl)-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 104619767
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125179887

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 54885097) is 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ncn[nH]1)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is OSZOAMURNYOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11(13-6-10-14-7-15-16-10)9-2-1-5-17(9)12(19)8-3-4-8/h7-9H,1-6H2,(H,13,18)(H,14,15,16).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54885097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).