5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine

C12H21N5 — CID 112938975

IUPAC5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
SMILESCC(C)Nc1nncc(N2CCCCCC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)14-12-15-11(9-13-16-12)17-7-5-3-4-6-8-17/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyPTROIOLJQBPVBP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds3

About 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine

5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine (PubChem CID 112938975) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
PubChem CID112938975
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
SMILESCC(C)Nc1nncc(N2CCCCCC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)14-12-15-11(9-13-16-12)17-7-5-3-4-6-8-17/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyPTROIOLJQBPVBP-UHFFFAOYSA-N
XLogP2.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
1-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)azepane
CID 112941121
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112939679

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine (CID 112938975) is 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine is CC(C)Nc1nncc(N2CCCCCC2)n1.
What is the InChIKey of 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine?
The InChIKey is PTROIOLJQBPVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(2)14-12-15-11(9-13-16-12)17-7-5-3-4-6-8-17/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine?
5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112938975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).