3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine

C11H16Cl2N4 — CID 81037778

IUPAC3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine
SMILESCN(c1nc(Cl)nnc1Cl)C1CCCCCC1
InChIInChI=1S/C11H16Cl2N4/c1-17(8-6-4-2-3-5-7-8)10-9(12)15-16-11(13)14-10/h8H,2-7H2,1H3
InChIKeyBKDRBSKLBUXQJD-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.34
Rot. Bonds2

About 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine

3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine (PubChem CID 81037778) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine
PubChem CID81037778
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine
SMILESCN(c1nc(Cl)nnc1Cl)C1CCCCCC1
InChIInChI=1S/C11H16Cl2N4/c1-17(8-6-4-2-3-5-7-8)10-9(12)15-16-11(13)14-10/h8H,2-7H2,1H3
InChIKeyBKDRBSKLBUXQJD-UHFFFAOYSA-N
XLogP3.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,4-triazin-5-amine
CID 81035919
3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81036366
2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268199
2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035717
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
3,6-dichloro-N-(cyclopropylmethyl)-N-propan-2-yl-1,2,4-triazin-5-amine
CID 81037611
5-chloro-4-N-cycloheptyl-4-N-methylpyrimidine-2,4-diamine
CID 80789751
2-chloro-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82065570
3,6-dichloro-5-cycloheptyloxy-1,2,4-triazine
CID 81038119
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
4-chloro-N-cyclohexyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62857510
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine (CID 81037778) is 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine is CN(c1nc(Cl)nnc1Cl)C1CCCCCC1.
What is the InChIKey of 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is BKDRBSKLBUXQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-17(8-6-4-2-3-5-7-8)10-9(12)15-16-11(13)14-10/h8H,2-7H2,1H3.
What are the key properties of 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine?
3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 275.18 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-cycloheptyl-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).