N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

C12H21N5 — CID 112940461

IUPACN-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCC(C)CNc1nncc(N2CCCCC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)8-13-12-15-11(9-14-16-12)17-6-4-3-5-7-17/h9-10H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyJXXSLNJRIJNFSP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds4

About N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112940461) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112940461
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCC(C)CNc1nncc(N2CCCCC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)8-13-12-15-11(9-14-16-12)17-6-4-3-5-7-17/h9-10H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyJXXSLNJRIJNFSP-UHFFFAOYSA-N
XLogP1.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938975
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112939679
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
CID 112940523
5-(azepan-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-3-amine
CID 112961261

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112940461) is N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is CC(C)CNc1nncc(N2CCCCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is JXXSLNJRIJNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(2)8-13-12-15-11(9-14-16-12)17-6-4-3-5-7-17/h9-10H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112940461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).