(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C12H24N6 — CID 112744552

IUPAC(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1ncnc1C(N)C1CN(C)CCN1C
InChIInChI=1S/C12H24N6/c1-9(2)18-12(14-8-15-18)11(13)10-7-16(3)5-6-17(10)4/h8-11H,5-7,13H2,1-4H3
InChIKeyPACBCEXUNCOMBB-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.10
Rot. Bonds3

About (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112744552) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID112744552
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1ncnc1C(N)C1CN(C)CCN1C
InChIInChI=1S/C12H24N6/c1-9(2)18-12(14-8-15-18)11(13)10-7-16(3)5-6-17(10)4/h8-11H,5-7,13H2,1-4H3
InChIKeyPACBCEXUNCOMBB-UHFFFAOYSA-N
XLogP0.10
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 114283429
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744593
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
1-(1,4-dimethylpiperazin-2-yl)-2-methylpropan-1-amine
CID 79659665
1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
CID 79659340
7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744529
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
CID 106653847
(1,4-dimethylpiperazin-2-yl)-quinolin-6-ylmethanamine
CID 81231152

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 112744552) is (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CC(C)n1ncnc1C(N)C1CN(C)CCN1C.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is PACBCEXUNCOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-9(2)18-12(14-8-15-18)11(13)10-7-16(3)5-6-17(10)4/h8-11H,5-7,13H2,1-4H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 252.37 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112744552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).