N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide

C6H10N4O2 — CID 22136774

IUPACN-[2-hydroxy-3-(triazol-1-yl)propyl]formamide
SMILESO=CNCC(O)Cn1ccnn1
InChIInChI=1S/C6H10N4O2/c11-5-7-3-6(12)4-10-2-1-8-9-10/h1-2,5-6,12H,3-4H2,(H,7,11)
InChIKeyMEBHSUVUJNIUNE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.62
Rot. Bonds5

About N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide

N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide (PubChem CID 22136774) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(triazol-1-yl)propyl]formamide
PubChem CID22136774
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-[2-hydroxy-3-(triazol-1-yl)propyl]formamide
SMILESO=CNCC(O)Cn1ccnn1
InChIInChI=1S/C6H10N4O2/c11-5-7-3-6(12)4-10-2-1-8-9-10/h1-2,5-6,12H,3-4H2,(H,7,11)
InChIKeyMEBHSUVUJNIUNE-UHFFFAOYSA-N
XLogP-1.62
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide?
The IUPAC name of N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide (CID 22136774) is N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide.
What is the SMILES notation for N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide?
The canonical SMILES for N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide is O=CNCC(O)Cn1ccnn1.
What is the InChIKey of N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide?
The InChIKey is MEBHSUVUJNIUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-5-7-3-6(12)4-10-2-1-8-9-10/h1-2,5-6,12H,3-4H2,(H,7,11).
What are the key properties of N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide?
N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide has a molecular weight of 170.17 g/mol, XLogP of -1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide is sourced from PubChem (CID 22136774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).