N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

C11H18N6 — CID 102804517

IUPACN-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)nc1C)c1cnnn1C
InChIInChI=1S/C11H18N6/c1-5-12-11(10-6-13-15-17(10)4)9-7-16(3)14-8(9)2/h6-7,11-12H,5H2,1-4H3
InChIKeyDIVNXJSKBDUZMP-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.56
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 102804517) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID102804517
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cn(C)nc1C)c1cnnn1C
InChIInChI=1S/C11H18N6/c1-5-12-11(10-6-13-15-17(10)4)9-7-16(3)14-8(9)2/h6-7,11-12H,5H2,1-4H3
InChIKeyDIVNXJSKBDUZMP-UHFFFAOYSA-N
XLogP0.56
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105184470
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704
N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105043354
N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043393
N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184574
N-[(3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114687378
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
N-[(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethyl]ethanamine
CID 102803545
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 102804517) is N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cn(C)nc1C)c1cnnn1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is DIVNXJSKBDUZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-5-12-11(10-6-13-15-17(10)4)9-7-16(3)14-8(9)2/h6-7,11-12H,5H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 234.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 102804517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).