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

C11H15ClN8O — CID 62864173

IUPAC4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCn1cnnc1CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H15ClN8O/c1-19-7-14-18-8(19)6-13-10-15-9(12)16-11(17-10)20-2-4-21-5-3-20/h7H,2-6H2,1H3,(H,13,15,16,17)
InChIKeyKZWHRIZKWSJQHD-UHFFFAOYSA-N
MW310.75 g/mol
LogP0.10
Rot. Bonds4

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

4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 62864173) has the molecular formula C11H15ClN8O and a molecular weight of 310.75 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID62864173
Molecular FormulaC11H15ClN8O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCn1cnnc1CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H15ClN8O/c1-19-7-14-18-8(19)6-13-10-15-9(12)16-11(17-10)20-2-4-21-5-3-20/h7H,2-6H2,1H3,(H,13,15,16,17)
InChIKeyKZWHRIZKWSJQHD-UHFFFAOYSA-N
XLogP0.10
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 62864173) is 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cn1cnnc1CNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KZWHRIZKWSJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN8O/c1-19-7-14-18-8(19)6-13-10-15-9(12)16-11(17-10)20-2-4-21-5-3-20/h7H,2-6H2,1H3,(H,13,15,16,17).
What are the key properties of 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 310.75 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).