1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine

C11H18N6 — CID 138028320

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine
SMILESCCn1cc(CNCc2cnn(C)n2)c(C)n1
InChIInChI=1S/C11H18N6/c1-4-17-8-10(9(2)14-17)5-12-6-11-7-13-16(3)15-11/h7-8,12H,4-6H2,1-3H3
InChIKeyDBIPMVLKVNITQK-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.63
Rot. Bonds5

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine (PubChem CID 138028320) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine
PubChem CID138028320
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine
SMILESCCn1cc(CNCc2cnn(C)n2)c(C)n1
InChIInChI=1S/C11H18N6/c1-4-17-8-10(9(2)14-17)5-12-6-11-7-13-16(3)15-11/h7-8,12H,4-6H2,1-3H3
InChIKeyDBIPMVLKVNITQK-UHFFFAOYSA-N
XLogP0.63
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine (CID 138028320) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine is CCn1cc(CNCc2cnn(C)n2)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is DBIPMVLKVNITQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-17-8-10(9(2)14-17)5-12-6-11-7-13-16(3)15-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 234.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 138028320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).