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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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).