1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide

C7H11N5O — CID 65463843

IUPAC1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C7H11N5O/c8-7(1-2-7)6(13)9-3-5-10-4-11-12-5/h4H,1-3,8H2,(H,9,13)(H,10,11,12)
InChIKeyOFGJEYQYUMVWEP-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.09
Rot. Bonds3

About 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide

1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 65463843) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
PubChem CID65463843
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ncn[nH]2)CC1
InChIInChI=1S/C7H11N5O/c8-7(1-2-7)6(13)9-3-5-10-4-11-12-5/h4H,1-3,8H2,(H,9,13)(H,10,11,12)
InChIKeyOFGJEYQYUMVWEP-UHFFFAOYSA-N
XLogP-1.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
CID 63128762
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide
CID 64517400
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177
1-[4-(aminomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64529601
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
1-(4-aminophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64531181
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104918546
ethyl 4-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)butanoate
CID 60982678

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide (CID 65463843) is 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide is NC1(C(=O)NCc2ncn[nH]2)CC1.
What is the InChIKey of 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is OFGJEYQYUMVWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-7(1-2-7)6(13)9-3-5-10-4-11-12-5/h4H,1-3,8H2,(H,9,13)(H,10,11,12).
What are the key properties of 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide?
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65463843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).