6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine

C14H17ClN4 — CID 6418587

IUPAC6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)c1nnc(-c2ccc(Cl)cc2)c(N(C)C)n1
InChIInChI=1S/C14H17ClN4/c1-9(2)13-16-14(19(3)4)12(17-18-13)10-5-7-11(15)8-6-10/h5-9H,1-4H3
InChIKeyKDQRMYOLNICFSJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.38
Rot. Bonds3

About 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine

6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine (PubChem CID 6418587) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine
PubChem CID6418587
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)c1nnc(-c2ccc(Cl)cc2)c(N(C)C)n1
InChIInChI=1S/C14H17ClN4/c1-9(2)13-16-14(19(3)4)12(17-18-13)10-5-7-11(15)8-6-10/h5-9H,1-4H3
InChIKeyKDQRMYOLNICFSJ-UHFFFAOYSA-N
XLogP3.38
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
CID 6404618
3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
CID 6409904
3-(4-Amino-4-methyl-1-piperidinyl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 118239663
2-(4-Chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 318119
3-(4-Chlorophenyl)-6-phenyl-5-(4-thiomorpholinyl)-1,2,4-triazine
CID 6402472
6-Methyl-3-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazine
CID 6404621
3-{[3-(4-Chlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]amino}propan-1-ol
CID 6409514
N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 22249081
as-Triazine, 5,6-bis(p-chlorophenyl)-3-methoxy-
CID 3053063
1,2,4-Triazine-3,5-diamine, 6-(2,5-dichlorophenyl)-
CID 3060073
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 6,7-bis(4-chlorophenyl)-3-methyl-
CID 3070768
6-(2,4-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 18347897

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine (CID 6418587) is 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine is CC(C)c1nnc(-c2ccc(Cl)cc2)c(N(C)C)n1.
What is the InChIKey of 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is KDQRMYOLNICFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9(2)13-16-14(19(3)4)12(17-18-13)10-5-7-11(15)8-6-10/h5-9H,1-4H3.
What are the key properties of 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine?
6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 276.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N,N-dimethyl-3-propan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6418587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).