N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine

C13H22N6 — CID 106048654

IUPACN'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1nnc2c(NCCCN(C)C(C)C)nccn12
InChIInChI=1S/C13H22N6/c1-10(2)18(4)8-5-6-14-12-13-17-16-11(3)19(13)9-7-15-12/h7,9-10H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyCTDPSHOKHSQPKF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.57
Rot. Bonds6

About N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106048654) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106048654
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1nnc2c(NCCCN(C)C(C)C)nccn12
InChIInChI=1S/C13H22N6/c1-10(2)18(4)8-5-6-14-12-13-17-16-11(3)19(13)9-7-15-12/h7,9-10H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyCTDPSHOKHSQPKF-UHFFFAOYSA-N
XLogP1.57
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 106048654) is N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine is Cc1nnc2c(NCCCN(C)C(C)C)nccn12.
What is the InChIKey of N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CTDPSHOKHSQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10(2)18(4)8-5-6-14-12-13-17-16-11(3)19(13)9-7-15-12/h7,9-10H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106048654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).