N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine

C12H18N6 — CID 170856759

IUPACN-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCn2nnc3ccccc32)CC1
InChIInChI=1S/C12H18N6/c1-16-6-8-17(9-7-16)13-10-18-12-5-3-2-4-11(12)14-15-18/h2-5,13H,6-10H2,1H3
InChIKeyCGUVNMKHOMRINU-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.14
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine

N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine (PubChem CID 170856759) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine
PubChem CID170856759
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCn2nnc3ccccc32)CC1
InChIInChI=1S/C12H18N6/c1-16-6-8-17(9-7-16)13-10-18-12-5-3-2-4-11(12)14-15-18/h2-5,13H,6-10H2,1H3
InChIKeyCGUVNMKHOMRINU-UHFFFAOYSA-N
XLogP0.14
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
CID 22989594
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 51266720
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine (CID 170856759) is N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine is CN1CCN(NCn2nnc3ccccc32)CC1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine?
The InChIKey is CGUVNMKHOMRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-16-6-8-17(9-7-16)13-10-18-12-5-3-2-4-11(12)14-15-18/h2-5,13H,6-10H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine?
N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine has a molecular weight of 246.32 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 170856759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).