N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine

C17H25N7 — CID 112957940

IUPACN-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C17H25N7/c1-14(2)6-8-18-15-13-20-22-17(21-15)24-11-9-23(10-12-24)16-5-3-4-7-19-16/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,18,21,22)
InChIKeyOJRXGSRWCLUGDA-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.05
Rot. Bonds6

About N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112957940) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112957940
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C17H25N7/c1-14(2)6-8-18-15-13-20-22-17(21-15)24-11-9-23(10-12-24)16-5-3-4-7-19-16/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,18,21,22)
InChIKeyOJRXGSRWCLUGDA-UHFFFAOYSA-N
XLogP2.05
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-butan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940718
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112942990
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951329
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
N-(2,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957955
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958107
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112957940) is N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is CC(C)CCNc1cnnc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is OJRXGSRWCLUGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-14(2)6-8-18-15-13-20-22-17(21-15)24-11-9-23(10-12-24)16-5-3-4-7-19-16/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,18,21,22).
What are the key properties of N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 327.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).