4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine

C14H19ClN6 — CID 62865097

IUPAC4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCN(c1nc(Cl)nc(-n2ccnc2)n1)C1CCCCCC1
InChIInChI=1S/C14H19ClN6/c1-20(11-6-4-2-3-5-7-11)13-17-12(15)18-14(19-13)21-9-8-16-10-21/h8-11H,2-7H2,1H3
InChIKeyQFZXXBWEIYZYTI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.87
Rot. Bonds3

About 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine

4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62865097) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
PubChem CID62865097
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCN(c1nc(Cl)nc(-n2ccnc2)n1)C1CCCCCC1
InChIInChI=1S/C14H19ClN6/c1-20(11-6-4-2-3-5-7-11)13-17-12(15)18-14(19-13)21-9-8-16-10-21/h8-11H,2-7H2,1H3
InChIKeyQFZXXBWEIYZYTI-UHFFFAOYSA-N
XLogP2.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
CID 82748550
4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63706080
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951004
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80787769
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62865000
4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62870066
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
CID 81062236
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (CID 62865097) is 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is CN(c1nc(Cl)nc(-n2ccnc2)n1)C1CCCCCC1.
What is the InChIKey of 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is QFZXXBWEIYZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-20(11-6-4-2-3-5-7-11)13-17-12(15)18-14(19-13)21-9-8-16-10-21/h8-11H,2-7H2,1H3.
What are the key properties of 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).