3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C10H13N5O2 — CID 62806836

IUPAC3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2nc(N)n[nH]2)o1
InChIInChI=1S/C10H13N5O2/c1-5-3-4-7(17-5)6(2)12-9(16)8-13-10(11)15-14-8/h3-4,6H,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyNYOYPYXCEQYHLH-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806836) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806836
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2nc(N)n[nH]2)o1
InChIInChI=1S/C10H13N5O2/c1-5-3-4-7(17-5)6(2)12-9(16)8-13-10(11)15-14-8/h3-4,6H,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyNYOYPYXCEQYHLH-UHFFFAOYSA-N
XLogP0.78
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(furan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806480
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81380291
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81396785
4-amino-5-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62080289
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 94599696
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51187724
4-amino-2-[ethyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663849
3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275154
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47209094
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 62806836) is 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is Cc1ccc(C(C)NC(=O)c2nc(N)n[nH]2)o1.
What is the InChIKey of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NYOYPYXCEQYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5-3-4-7(17-5)6(2)12-9(16)8-13-10(11)15-14-8/h3-4,6H,1-2H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).