4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine

C10H14ClN7O — CID 63330777

IUPAC4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCCc2nncn2C)n1
InChIInChI=1S/C10H14ClN7O/c1-3-19-10-15-8(11)14-9(16-10)12-5-4-7-17-13-6-18(7)2/h6H,3-5H2,1-2H3,(H,12,14,15,16)
InChIKeyJJELLAMMKWOFBW-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.71
Rot. Bonds6

About 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 63330777) has the molecular formula C10H14ClN7O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID63330777
Molecular FormulaC10H14ClN7O
Molecular Weight283.72 g/mol
Exact Mass283.09
IUPAC Name4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCCc2nncn2C)n1
InChIInChI=1S/C10H14ClN7O/c1-3-19-10-15-8(11)14-9(16-10)12-5-4-7-17-13-6-18(7)2/h6H,3-5H2,1-2H3,(H,12,14,15,16)
InChIKeyJJELLAMMKWOFBW-UHFFFAOYSA-N
XLogP0.71
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 63330863
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63590782
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 80689265
5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80758192
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine (CID 63330777) is 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCCc2nncn2C)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is JJELLAMMKWOFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O/c1-3-19-10-15-8(11)14-9(16-10)12-5-4-7-17-13-6-18(7)2/h6H,3-5H2,1-2H3,(H,12,14,15,16).
What are the key properties of 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 283.72 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63330777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).