2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine

C13H22N6 — CID 115310106

IUPAC2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine
SMILESCc1nnc2c(NC(C)(CN)CC(C)C)nccn12
InChIInChI=1S/C13H22N6/c1-9(2)7-13(4,8-14)16-11-12-18-17-10(3)19(12)6-5-15-11/h5-6,9H,7-8,14H2,1-4H3,(H,15,16)
InChIKeySVAUYYGTSUTZMW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.61
Rot. Bonds5

About 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine

2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine (PubChem CID 115310106) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine
PubChem CID115310106
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine
SMILESCc1nnc2c(NC(C)(CN)CC(C)C)nccn12
InChIInChI=1S/C13H22N6/c1-9(2)7-13(4,8-14)16-11-12-18-17-10(3)19(12)6-5-15-11/h5-6,9H,7-8,14H2,1-4H3,(H,15,16)
InChIKeySVAUYYGTSUTZMW-UHFFFAOYSA-N
XLogP1.61
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-1-ol
CID 106171234
2-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanoic acid
CID 79792692
N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
CID 107269269
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114571037
N-(4-chlorobutan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83187746
4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
CID 82684004
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115692073
N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048654
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 172904499

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine (CID 115310106) is 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine is Cc1nnc2c(NC(C)(CN)CC(C)C)nccn12.
What is the InChIKey of 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine?
The InChIKey is SVAUYYGTSUTZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9(2)7-13(4,8-14)16-11-12-18-17-10(3)19(12)6-5-15-11/h5-6,9H,7-8,14H2,1-4H3,(H,15,16).
What are the key properties of 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine?
2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine is sourced from PubChem (CID 115310106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).