5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine

C12H18N6 — CID 112597554

IUPAC5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccnc(CN)c2)n1CC
InChIInChI=1S/C12H18N6/c1-3-14-12-17-16-11(18(12)4-2)9-5-6-15-10(7-9)8-13/h5-7H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeyTUQJKIXRGHOROH-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.25
Rot. Bonds5

About 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine

5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112597554) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112597554
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2ccnc(CN)c2)n1CC
InChIInChI=1S/C12H18N6/c1-3-14-12-17-16-11(18(12)4-2)9-5-6-15-10(7-9)8-13/h5-7H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeyTUQJKIXRGHOROH-UHFFFAOYSA-N
XLogP1.25
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325434
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136926768
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
CID 115945460
N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
CID 112596806

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine (CID 112597554) is 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(-c2ccnc(CN)c2)n1CC.
What is the InChIKey of 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is TUQJKIXRGHOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-14-12-17-16-11(18(12)4-2)9-5-6-15-10(7-9)8-13/h5-7H,3-4,8,13H2,1-2H3,(H,14,17).
What are the key properties of 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine?
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 246.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).