2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine

C11H17N7 — CID 80821706

IUPAC2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2nncn2C)n1
InChIInChI=1S/C11H17N7/c1-3-4-13-9-5-12-6-10(16-9)14-7-11-17-15-8-18(11)2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,16)
InChIKeyRLXRALJGYHOKSO-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.04
Rot. Bonds6

About 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80821706) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80821706
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2nncn2C)n1
InChIInChI=1S/C11H17N7/c1-3-4-13-9-5-12-6-10(16-9)14-7-11-17-15-8-18(11)2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,16)
InChIKeyRLXRALJGYHOKSO-UHFFFAOYSA-N
XLogP1.04
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carboxylate
CID 66456495
6-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 63330911
6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80845005
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771685
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
CID 115600934
6-chloro-N-propylpyrazin-2-amine
CID 26370207

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80821706) is 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCc2nncn2C)n1.
What is the InChIKey of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is RLXRALJGYHOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-3-4-13-9-5-12-6-10(16-9)14-7-11-17-15-8-18(11)2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 247.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80821706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).