2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide

C8H14N6O2 — CID 62951828

IUPAC2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1cnc(CN)n1
InChIInChI=1S/C8H14N6O2/c1-5(7(15)12-8(16)10-2)14-4-11-6(3-9)13-14/h4-5H,3,9H2,1-2H3,(H2,10,12,15,16)
InChIKeyMSJLKZPATXWCAP-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.25
Rot. Bonds3

About 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 62951828) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID62951828
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1cnc(CN)n1
InChIInChI=1S/C8H14N6O2/c1-5(7(15)12-8(16)10-2)14-4-11-6(3-9)13-14/h4-5H,3,9H2,1-2H3,(H2,10,12,15,16)
InChIKeyMSJLKZPATXWCAP-UHFFFAOYSA-N
XLogP-1.25
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735018
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
2-(4-formyltriazol-1-yl)-N-(methylcarbamoyl)propanamide
CID 66213759
2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
CID 60704182
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
N-(methylcarbamoyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]propanamide
CID 113434460
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 62950155
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-(3-cyano-1,2,4-triazol-1-yl)propanehydrazide
CID 63580014
ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
CID 79317381
2-[4-(4-aminobutyl)triazol-1-yl]-N-(ethylcarbamoyl)propanamide
CID 106209559
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63340073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide (CID 62951828) is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)n1cnc(CN)n1.
What is the InChIKey of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is MSJLKZPATXWCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-5(7(15)12-8(16)10-2)14-4-11-6(3-9)13-14/h4-5H,3,9H2,1-2H3,(H2,10,12,15,16).
What are the key properties of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide?
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 62951828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).