[3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol

C7H8ClN5O — CID 164649851

IUPAC[3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol
SMILESCn1ncc(-n2nncc2CO)c1Cl
InChIInChI=1S/C7H8ClN5O/c1-12-7(8)6(3-10-12)13-5(4-14)2-9-11-13/h2-3,14H,4H2,1H3
InChIKeyQVQAJJSLVJRZQW-UHFFFAOYSA-N
MW213.63 g/mol
LogP0.15
Rot. Bonds2

About [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol

[3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol (PubChem CID 164649851) has the molecular formula C7H8ClN5O and a molecular weight of 213.63 g/mol. Its IUPAC name is [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol
PubChem CID164649851
Molecular FormulaC7H8ClN5O
Molecular Weight213.63 g/mol
Exact Mass213.04
IUPAC Name[3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol
SMILESCn1ncc(-n2nncc2CO)c1Cl
InChIInChI=1S/C7H8ClN5O/c1-12-7(8)6(3-10-12)13-5(4-14)2-9-11-13/h2-3,14H,4H2,1H3
InChIKeyQVQAJJSLVJRZQW-UHFFFAOYSA-N
XLogP0.15
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyltriazol-4-yl)methanol
CID 12654348
(5-chloro-1-methylpyrazol-4-yl)methanol
CID 69376960
[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
CID 164658761
[3-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82195618
[3-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
CID 167438888
[3-(2-methoxyethyl)triazol-4-yl]methanol
CID 112757669
2-[3-(2-methylphenyl)triazol-4-yl]ethanol
CID 117167047
(2-chloro-3-methylimidazol-4-yl)methanol
CID 59589424
[3-(3-fluoropropyl)triazol-4-yl]methanol
CID 130566339
5-chloro-1-methylpyrazol-4-amine;dihydrochloride
CID 122164434
5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole
CID 130171318
1-[5-(hydroxymethyl)triazol-1-yl]-4,4-dimethylpentan-3-one
CID 177087440

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol?
The IUPAC name of [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol (CID 164649851) is [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol.
What is the SMILES notation for [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol?
The canonical SMILES for [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol is Cn1ncc(-n2nncc2CO)c1Cl.
What is the InChIKey of [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol?
The InChIKey is QVQAJJSLVJRZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O/c1-12-7(8)6(3-10-12)13-5(4-14)2-9-11-13/h2-3,14H,4H2,1H3.
What are the key properties of [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol?
[3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol has a molecular weight of 213.63 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-1-methylpyrazol-4-yl)triazol-4-yl]methanol is sourced from PubChem (CID 164649851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).