N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H13N5 — CID 115692073

IUPACN-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=CC(C)Nc1nccn2c(C)nnc12
InChIInChI=1S/C10H13N5/c1-4-7(2)12-9-10-14-13-8(3)15(10)6-5-11-9/h4-7H,1H2,2-3H3,(H,11,12)
InChIKeyKRRDCYMOJODABO-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.42
Rot. Bonds3

About N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 115692073) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID115692073
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=CC(C)Nc1nccn2c(C)nnc12
InChIInChI=1S/C10H13N5/c1-4-7(2)12-9-10-14-13-8(3)15(10)6-5-11-9/h4-7H,1H2,2-3H3,(H,11,12)
InChIKeyKRRDCYMOJODABO-UHFFFAOYSA-N
XLogP1.42
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65029623
N-(4-chlorobutan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 83187746
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 79099178
N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113338962
3-methyl-N-octan-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103729169
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentan-2-ol
CID 107269269
4-methoxy-3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butan-1-ol
CID 106157669
3-methyl-N-(3-methylsulfanylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113494041
2,4-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pentane-1,2-diamine
CID 115310106
3-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328736
N'-methyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048654

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 115692073) is N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C=CC(C)Nc1nccn2c(C)nnc12.
What is the InChIKey of N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is KRRDCYMOJODABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-4-7(2)12-9-10-14-13-8(3)15(10)6-5-11-9/h4-7H,1H2,2-3H3,(H,11,12).
What are the key properties of N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 203.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 115692073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).