1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine

C15H23N7O — CID 29086918

IUPAC1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CCN(c3cc(OC)ncn3)CC2)nn1
InChIInChI=1S/C15H23N7O/c1-16-8-13-10-22(20-19-13)9-12-3-5-21(6-4-12)14-7-15(23-2)18-11-17-14/h7,10-12,16H,3-6,8-9H2,1-2H3
InChIKeyWWZAQNNRZVLVCR-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.71
Rot. Bonds6

About 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine

1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 29086918) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID29086918
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CCN(c3cc(OC)ncn3)CC2)nn1
InChIInChI=1S/C15H23N7O/c1-16-8-13-10-22(20-19-13)9-12-3-5-21(6-4-12)14-7-15(23-2)18-11-17-14/h7,10-12,16H,3-6,8-9H2,1-2H3
InChIKeyWWZAQNNRZVLVCR-UHFFFAOYSA-N
XLogP0.71
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine with MolForge

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Related Compounds

2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methoxy-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137646518
4-[3-(1H-imidazol-2-yl)-1-piperidinyl]-6-methoxypyrimidine
CID 70708404
4-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-6-methoxy-2-pyrimidinamine
CID 72844355
4-(4-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-6-methoxy-2-pyrimidinamine
CID 72919432
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine
CID 95144106
[1-[(3S)-1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
CID 164638817
(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 28854477
4-Methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 128977623
4-methoxy-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129006903
4-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129329079
4-methoxy-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129329080
4-methoxy-2-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129508664

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine (CID 29086918) is 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CC2CCN(c3cc(OC)ncn3)CC2)nn1.
What is the InChIKey of 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is WWZAQNNRZVLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-16-8-13-10-22(20-19-13)9-12-3-5-21(6-4-12)14-7-15(23-2)18-11-17-14/h7,10-12,16H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 317.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 29086918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).