5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide

C8H9N5O2 — CID 110484783

IUPAC5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NCc1ccco1
InChIInChI=1S/C8H9N5O2/c9-7-6(11-13-12-7)8(14)10-4-5-2-1-3-15-5/h1-3H,4H2,(H,10,14)(H3,9,11,12,13)
InChIKeyORPVXIBKVIKWSX-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.09
Rot. Bonds3

About 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide

5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 110484783) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID110484783
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NCc1ccco1
InChIInChI=1S/C8H9N5O2/c9-7-6(11-13-12-7)8(14)10-4-5-2-1-3-15-5/h1-3H,4H2,(H,10,14)(H3,9,11,12,13)
InChIKeyORPVXIBKVIKWSX-UHFFFAOYSA-N
XLogP-0.09
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
CID 82571771
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CID 62075964
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CID 62156387
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CID 82344099
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
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CID 16782827
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide (CID 110484783) is 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)NCc1ccco1.
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is ORPVXIBKVIKWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-7-6(11-13-12-7)8(14)10-4-5-2-1-3-15-5/h1-3H,4H2,(H,10,14)(H3,9,11,12,13).
What are the key properties of 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 207.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).