[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol

C7H14N4O — CID 115013739

IUPAC[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1CCCN
InChIInChI=1S/C7H14N4O/c1-6-7(5-12)9-10-11(6)4-2-3-8/h12H,2-5,8H2,1H3
InChIKeyYVDSKRCVSNDCKH-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.57
Rot. Bonds4

About [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol

[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol (PubChem CID 115013739) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
PubChem CID115013739
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1CCCN
InChIInChI=1S/C7H14N4O/c1-6-7(5-12)9-10-11(6)4-2-3-8/h12H,2-5,8H2,1H3
InChIKeyYVDSKRCVSNDCKH-UHFFFAOYSA-N
XLogP-0.57
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
2-(1-butyl-5-methyltriazol-4-yl)ethanol
CID 82205579
[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
CID 82209227
1-butyl-4-ethyl-5-methyltriazole
CID 69384801
4-butyl-5-methyl-1-propyltriazole
CID 69381876
1-(3-fluoropropyl)-5-methyltriazol-4-amine
CID 81110241
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
CID 82211180
[5-methyl-1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanol
CID 94943704
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
[1-butyl-5-(trichloromethyl)triazol-4-yl]methanol
CID 82205459
1-(3-aminopropyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643302

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol (CID 115013739) is [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol is Cc1c(CO)nnn1CCCN.
What is the InChIKey of [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol?
The InChIKey is YVDSKRCVSNDCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6-7(5-12)9-10-11(6)4-2-3-8/h12H,2-5,8H2,1H3.
What are the key properties of [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol?
[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol has a molecular weight of 170.22 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 115013739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).