2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide

C8H13N5O — CID 82237375

IUPAC2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1CNC(=O)C1CC1N
InChIInChI=1S/C8H13N5O/c1-13-4-11-12-7(13)3-10-8(14)5-2-6(5)9/h4-6H,2-3,9H2,1H3,(H,10,14)
InChIKeyFZXKNAZDDKHYJV-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.22
Rot. Bonds3

About 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide

2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 82237375) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID82237375
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1CNC(=O)C1CC1N
InChIInChI=1S/C8H13N5O/c1-13-4-11-12-7(13)3-10-8(14)5-2-6(5)9/h4-6H,2-3,9H2,1H3,(H,10,14)
InChIKeyFZXKNAZDDKHYJV-UHFFFAOYSA-N
XLogP-1.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 66010021
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
CID 66258699
trans-(1S,2S)-2-(3-bromophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94800328
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61004222
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54896049
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
1-(adamantane-1-carbonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576835
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 154817209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 82237375) is 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide is Cn1cnnc1CNC(=O)C1CC1N.
What is the InChIKey of 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is FZXKNAZDDKHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-4-11-12-7(13)3-10-8(14)5-2-6(5)9/h4-6H,2-3,9H2,1H3,(H,10,14).
What are the key properties of 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide?
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 82237375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).