4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine

C8H11ClN6 — CID 165472532

IUPAC4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine
SMILESCCn1cc(Cn2cc(Cl)c(N)n2)nn1
InChIInChI=1S/C8H11ClN6/c1-2-14-3-6(11-13-14)4-15-5-7(9)8(10)12-15/h3,5H,2,4H2,1H3,(H2,10,12)
InChIKeyDRJSZSXFERCRGX-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.78
Rot. Bonds3

About 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine

4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 165472532) has the molecular formula C8H11ClN6 and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine
PubChem CID165472532
Molecular FormulaC8H11ClN6
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine
SMILESCCn1cc(Cn2cc(Cl)c(N)n2)nn1
InChIInChI=1S/C8H11ClN6/c1-2-14-3-6(11-13-14)4-15-5-7(9)8(10)12-15/h3,5H,2,4H2,1H3,(H2,10,12)
InChIKeyDRJSZSXFERCRGX-UHFFFAOYSA-N
XLogP0.78
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-ethylpyrazol-3-amine
CID 19576739
1-[(1-ethyltriazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 165472533
4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165479577
bis(1,4-diethyltriazole);ethane
CID 160569546
4-chloro-1-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
CID 130961363
4-(bromomethyl)-1-ethyltriazole
CID 62400485
1-(1-ethyltriazol-4-yl)-2-methylpropan-2-amine
CID 84765468
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
4-[(1-ethyltriazol-4-yl)methyl]morpholine
CID 171649254
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
1-[(5-chloro-1-methylpyrazol-3-yl)methyl]triazol-4-amine
CID 165481119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine (CID 165472532) is 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine is CCn1cc(Cn2cc(Cl)c(N)n2)nn1.
What is the InChIKey of 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is DRJSZSXFERCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6/c1-2-14-3-6(11-13-14)4-15-5-7(9)8(10)12-15/h3,5H,2,4H2,1H3,(H2,10,12).
What are the key properties of 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine?
4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 226.67 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 165472532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).