5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine

C12H22N4 — CID 105362359

IUPAC5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(CC)CC)nc1CC
InChIInChI=1S/C12H22N4/c1-5-9(6-2)13-12-14-10(7-3)11(8-4)15-16-12/h9H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyNIKZQXJWORYPAX-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.60
Rot. Bonds6

About 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine

5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine (PubChem CID 105362359) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
PubChem CID105362359
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC(CC)CC)nc1CC
InChIInChI=1S/C12H22N4/c1-5-9(6-2)13-12-14-10(7-3)11(8-4)15-16-12/h9H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyNIKZQXJWORYPAX-UHFFFAOYSA-N
XLogP2.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
CID 105362667
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 105362502
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 105362544
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
5,6-dimethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 114383143
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517
5,6-diethyl-N-[1-(oxolan-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362864
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 105362578
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine (CID 105362359) is 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine is CCc1nnc(NC(CC)CC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
The InChIKey is NIKZQXJWORYPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-9(6-2)13-12-14-10(7-3)11(8-4)15-16-12/h9H,5-8H2,1-4H3,(H,13,14,16).
What are the key properties of 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine?
5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).