1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide

C9H16N4O2 — CID 175839188

IUPAC1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CCCCCCO)n1
InChIInChI=1S/C9H16N4O2/c10-8(15)9-11-7-13(12-9)5-3-1-2-4-6-14/h7,14H,1-6H2,(H2,10,15)
InChIKeyHYUSYHFUCBDNKS-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.07
Rot. Bonds7

About 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide

1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide (PubChem CID 175839188) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide
PubChem CID175839188
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CCCCCCO)n1
InChIInChI=1S/C9H16N4O2/c10-8(15)9-11-7-13(12-9)5-3-1-2-4-6-14/h7,14H,1-6H2,(H2,10,15)
InChIKeyHYUSYHFUCBDNKS-UHFFFAOYSA-N
XLogP-0.07
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide (CID 175839188) is 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CCCCCCO)n1.
What is the InChIKey of 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is HYUSYHFUCBDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-8(15)9-11-7-13(12-9)5-3-1-2-4-6-14/h7,14H,1-6H2,(H2,10,15).
What are the key properties of 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide?
1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175839188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).