4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H16ClN7 — CID 62864601

IUPAC4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC(C)CCN(C)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H16ClN7/c1-8(2)4-5-18(3)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,4-5H2,1-3H3
InChIKeyFHYORLRYLLNVPD-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.59
Rot. Bonds5

About 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62864601) has the molecular formula C11H16ClN7 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62864601
Molecular FormulaC11H16ClN7
Molecular Weight281.75 g/mol
Exact Mass281.12
IUPAC Name4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCC(C)CCN(C)c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H16ClN7/c1-8(2)4-5-18(3)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,4-5H2,1-3H3
InChIKeyFHYORLRYLLNVPD-UHFFFAOYSA-N
XLogP1.59
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62870174
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
CID 62863601
4-chloro-N-ethyl-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868704
4-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869350
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 62863952
4-chloro-N-ethyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 79470430
4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62868889
4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864252
4-chloro-N-methyl-N-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864391
4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864288
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 81064836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62864601) is 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CC(C)CCN(C)c1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FHYORLRYLLNVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7/c1-8(2)4-5-18(3)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 281.75 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).