N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine

C12H14N4 — CID 6404618

IUPACN,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C12H14N4/c1-9-12(16(2)3)13-11(15-14-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeySPYADVNGMOHOJP-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.91
Rot. Bonds2

About N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine

N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine (PubChem CID 6404618) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
PubChem CID6404618
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
SMILESCc1nnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C12H14N4/c1-9-12(16(2)3)13-11(15-14-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeySPYADVNGMOHOJP-UHFFFAOYSA-N
XLogP1.91
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Diphenyl-1,2,4-triazin-3-amine
CID 78268
3-Chloro-5,6-diphenyl-1,2,4-triazine
CID 288439
as-TRIAZINE, 5,6-DIPHENYL-3-METHOXY-
CID 24063
3-Phenyl-5-(1-pyrrolidinyl)-6-(trifluoromethyl)-1,2,4-triazine
CID 6413293
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
3,6-Diphenyl-1,2,4-triazine
CID 6617829
6-(4-Tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 44531117
6-(3,3-Dimethylpiperidin-1-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354728
5,6-Diphenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6409931
5,6-Diphenyl-1,2,4-triazine
CID 252499
3,5,6-Triphenyl-1,2,4-triazine
CID 6409950
3-(4-Bromophenyl)-5-(4-methyl-1-piperazinyl)-6-phenyl-1,2,4-triazine
CID 6402465

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine?
The IUPAC name of N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine (CID 6404618) is N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine.
What is the SMILES notation for N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine?
The canonical SMILES for N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine is Cc1nnc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine?
The InChIKey is SPYADVNGMOHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-12(16(2)3)13-11(15-14-9)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine?
N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine has a molecular weight of 214.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6404618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).