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

C6H11N5O — CID 60982177

IUPAC2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(N)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H11N5O/c1-4(7)6(12)8-2-5-9-3-10-11-5/h3-4H,2,7H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyCXBCYGVXTMNREM-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.23
Rot. Bonds3

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

2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 60982177) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID60982177
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(N)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C6H11N5O/c1-4(7)6(12)8-2-5-9-3-10-11-5/h3-4H,2,7H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyCXBCYGVXTMNREM-UHFFFAOYSA-N
XLogP-1.23
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 104903173
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 77046191
(2S)-2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 97064315
3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 63822003
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide
CID 64517400
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
4-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 64525497
(2R)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)butanoic acid
CID 113353242
4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155320

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 60982177) is 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(N)C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is CXBCYGVXTMNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(7)6(12)8-2-5-9-3-10-11-5/h3-4H,2,7H2,1H3,(H,8,12)(H,9,10,11).
What are the key properties of 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 169.19 g/mol, XLogP of -1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 60982177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).