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

C11H12ClN9 — CID 103010009

IUPAC4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCn1nccc1CCNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H12ClN9/c1-20-8(3-5-15-20)2-4-14-10-17-9(12)18-11(19-10)21-7-13-6-16-21/h3,5-7H,2,4H2,1H3,(H,14,17,18,19)
InChIKeyLGYQQNIQWBFZDR-UHFFFAOYSA-N
MW305.73 g/mol
LogP0.49
Rot. Bonds5

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

4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 103010009) has the molecular formula C11H12ClN9 and a molecular weight of 305.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID103010009
Molecular FormulaC11H12ClN9
Molecular Weight305.73 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCn1nccc1CCNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H12ClN9/c1-20-8(3-5-15-20)2-4-14-10-17-9(12)18-11(19-10)21-7-13-6-16-21/h3,5-7H,2,4H2,1H3,(H,14,17,18,19)
InChIKeyLGYQQNIQWBFZDR-UHFFFAOYSA-N
XLogP0.49
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
4-chloro-N-[(E)-pent-3-enyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195902
N-but-3-ynyl-4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106194914
4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864636
4-chloro-N-(2-methylsulfanylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113466848
4-chloro-N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62863026
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106375611
4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195533
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 79234521
4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 103010009) is 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Cn1nccc1CCNc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is LGYQQNIQWBFZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN9/c1-20-8(3-5-15-20)2-4-14-10-17-9(12)18-11(19-10)21-7-13-6-16-21/h3,5-7H,2,4H2,1H3,(H,14,17,18,19).
What are the key properties of 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 305.73 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103010009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).