3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol

C6H11N3O2 — CID 62401663

IUPAC3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CO)nn1
InChIInChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2
InChIKeyXROZELKTFLMHSA-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.85
Rot. Bonds4

About 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol

3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol (PubChem CID 62401663) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol
PubChem CID62401663
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CO)nn1
InChIInChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2
InChIKeyXROZELKTFLMHSA-UHFFFAOYSA-N
XLogP-0.85
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71590932
2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 23139261
(1-Decyl-3-propyltriazol-1-ium-4-yl)methanol bromide
CID 137650365
1-Methyl-1H-1,2,3-triazole-4-methanol
CID 12654349
(1-ethyl-1H-1,2,3-triazol-4-yl)methanol
CID 12654351
(1-Octyltriazol-4-yl)methanol
CID 62401462
(2S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]propanoic acid
CID 155552110
[1-(2,2-diethoxyethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 50988017
[1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62400531
(1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 12654348
1-Ethyl-1H-1,2,3-triazole-5-methanol
CID 12654350
(1-(propan-2-yl)-1H-1,2,3-triazol-4-yl)methanol
CID 62402024

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol (CID 62401663) is 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol is OCCCn1cc(CO)nn1.
What is the InChIKey of 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
The InChIKey is XROZELKTFLMHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2.
What are the key properties of 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol?
3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol has a molecular weight of 157.17 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 62401663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).