5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14ClN5 — CID 114156779

IUPAC5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC1CC=CCC1
InChIInChI=1S/C12H14ClN5/c1-8-10(13)17-12-14-7-15-18(12)11(8)16-9-5-3-2-4-6-9/h2-3,7,9,16H,4-6H2,1H3
InChIKeyFIMYGTRNQDYXPR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.61
Rot. Bonds2

About 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 114156779) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID114156779
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC1CC=CCC1
InChIInChI=1S/C12H14ClN5/c1-8-10(13)17-12-14-7-15-18(12)11(8)16-9-5-3-2-4-6-9/h2-3,7,9,16H,4-6H2,1H3
InChIKeyFIMYGTRNQDYXPR-UHFFFAOYSA-N
XLogP2.61
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 103076746
5-chloro-6-methyl-N-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076949
5-chloro-N-(1,1-dioxothiolan-3-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076191
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798377
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076494
3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 103076747
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076972
5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
5-chloro-6-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 114156779) is 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NC1CC=CCC1.
What is the InChIKey of 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FIMYGTRNQDYXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-8-10(13)17-12-14-7-15-18(12)11(8)16-9-5-3-2-4-6-9/h2-3,7,9,16H,4-6H2,1H3.
What are the key properties of 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 263.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 114156779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).