N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine

C10H14N6 — CID 114691130

IUPACN-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
SMILESCCCn1nncc1-c1nccnc1NC
InChIInChI=1S/C10H14N6/c1-3-6-16-8(7-14-15-16)9-10(11-2)13-5-4-12-9/h4-5,7H,3,6H2,1-2H3,(H,11,13)
InChIKeyOEZRPPHXLBEUDG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine

N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine (PubChem CID 114691130) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
PubChem CID114691130
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine
SMILESCCCn1nncc1-c1nccnc1NC
InChIInChI=1S/C10H14N6/c1-3-6-16-8(7-14-15-16)9-10(11-2)13-5-4-12-9/h4-5,7H,3,6H2,1-2H3,(H,11,13)
InChIKeyOEZRPPHXLBEUDG-UHFFFAOYSA-N
XLogP1.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine?
The IUPAC name of N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine (CID 114691130) is N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine?
The canonical SMILES for N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine is CCCn1nncc1-c1nccnc1NC.
What is the InChIKey of N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine?
The InChIKey is OEZRPPHXLBEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-6-16-8(7-14-15-16)9-10(11-2)13-5-4-12-9/h4-5,7H,3,6H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine?
N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-propyltriazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 114691130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).