N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine

C12H17N5 — CID 112596836

IUPACN,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cncc(C)c2)n1CC
InChIInChI=1S/C12H17N5/c1-4-14-12-16-15-11(17(12)5-2)10-6-9(3)7-13-8-10/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyCAUBNFKHILWZCR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine (PubChem CID 112596836) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
PubChem CID112596836
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cncc(C)c2)n1CC
InChIInChI=1S/C12H17N5/c1-4-14-12-16-15-11(17(12)5-2)10-6-9(3)7-13-8-10/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyCAUBNFKHILWZCR-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
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
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596888
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
2-chloro-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136926768
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine (CID 112596836) is N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2cncc(C)c2)n1CC.
What is the InChIKey of N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine?
The InChIKey is CAUBNFKHILWZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-14-12-16-15-11(17(12)5-2)10-6-9(3)7-13-8-10/h6-8H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).