3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide

C11H15N5O3 — CID 55115340

IUPAC3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCCOCc2ccco2)n1
InChIInChI=1S/C11H15N5O3/c12-11-14-9(15-16-11)10(17)13-4-2-5-18-7-8-3-1-6-19-8/h1,3,6H,2,4-5,7H2,(H,13,17)(H3,12,14,15,16)
InChIKeyGGXVYUSAPHUWOF-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.32
Rot. Bonds7

About 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55115340) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID55115340
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCCOCc2ccco2)n1
InChIInChI=1S/C11H15N5O3/c12-11-14-9(15-16-11)10(17)13-4-2-5-18-7-8-3-1-6-19-8/h1,3,6H,2,4-5,7H2,(H,13,17)(H3,12,14,15,16)
InChIKeyGGXVYUSAPHUWOF-UHFFFAOYSA-N
XLogP0.32
TPSA119.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 62800339
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
2-(5-amino-2-pyridinyl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 107338293
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide (CID 55115340) is 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCCCOCc2ccco2)n1.
What is the InChIKey of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GGXVYUSAPHUWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-11-14-9(15-16-11)10(17)13-4-2-5-18-7-8-3-1-6-19-8/h1,3,6H,2,4-5,7H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55115340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).