5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide

C7H7N5O2 — CID 82344382

IUPAC5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ncn[nH]2)o1
InChIInChI=1S/C7H7N5O2/c8-5-2-1-4(14-5)6(13)11-7-9-3-10-12-7/h1-3H,8H2,(H2,9,10,11,12,13)
InChIKeyLFYLELRLQFCQEL-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.23
Rot. Bonds2

About 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide

5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide (PubChem CID 82344382) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide
PubChem CID82344382
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ncn[nH]2)o1
InChIInChI=1S/C7H7N5O2/c8-5-2-1-4(14-5)6(13)11-7-9-3-10-12-7/h1-3H,8H2,(H2,9,10,11,12,13)
InChIKeyLFYLELRLQFCQEL-UHFFFAOYSA-N
XLogP0.23
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide (CID 82344382) is 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide is Nc1ccc(C(=O)Nc2ncn[nH]2)o1.
What is the InChIKey of 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide?
The InChIKey is LFYLELRLQFCQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-5-2-1-4(14-5)6(13)11-7-9-3-10-12-7/h1-3H,8H2,(H2,9,10,11,12,13).
What are the key properties of 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide?
5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide has a molecular weight of 193.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 82344382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).