1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane

C19H29N7 — CID 31162737

IUPAC1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane
SMILESc1cnc(N2CCC(Cn3cc(CN4CCCCCC4)nn3)CC2)cn1
InChIInChI=1S/C19H29N7/c1-2-4-10-24(9-3-1)15-18-16-26(23-22-18)14-17-5-11-25(12-6-17)19-13-20-7-8-21-19/h7-8,13,16-17H,1-6,9-12,14-15H2
InChIKeyGWFIMZWYVXOZNY-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.36
Rot. Bonds5

About 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane

1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane (PubChem CID 31162737) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane.

Molecular Properties

Compound Name1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane
PubChem CID31162737
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane
SMILESc1cnc(N2CCC(Cn3cc(CN4CCCCCC4)nn3)CC2)cn1
InChIInChI=1S/C19H29N7/c1-2-4-10-24(9-3-1)15-18-16-26(23-22-18)14-17-5-11-25(12-6-17)19-13-20-7-8-21-19/h7-8,13,16-17H,1-6,9-12,14-15H2
InChIKeyGWFIMZWYVXOZNY-UHFFFAOYSA-N
XLogP2.36
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-[(1-Pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane;bis(2,2,2-trifluoroacetic acid)
CID 154891680
N-[(1-{[1-(2-pyrazinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 28784640
3-[4-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)-1-piperidinyl]-2-pyrazinecarbonitrile
CID 29151773
2-{4-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}pyrazine
CID 30853645
1-[(1-{[1-(3,6-dimethyl-2-pyrazinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-4-piperidinamine bis(trifluoroacetate)
CID 31004832
1-{[1-(1-pyrazin-2-ylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-1,4-diazepane
CID 31126028
2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
CID 31161132
1-[(1-{[1-(2-pyrazinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-1,4-diazepane bis(trifluoroacetate)
CID 45191798
2-{[2-(1-ethylpiperidin-3-yl)-1H-imidazol-1-yl]methyl}-5-methylpyrazine
CID 56877771
[3-[4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 63009808
[5-[4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 64287586
N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 66450694

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane?
The IUPAC name of 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane (CID 31162737) is 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane.
What is the SMILES notation for 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane?
The canonical SMILES for 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane is c1cnc(N2CCC(Cn3cc(CN4CCCCCC4)nn3)CC2)cn1.
What is the InChIKey of 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane?
The InChIKey is GWFIMZWYVXOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-2-4-10-24(9-3-1)15-18-16-26(23-22-18)14-17-5-11-25(12-6-17)19-13-20-7-8-21-19/h7-8,13,16-17H,1-6,9-12,14-15H2.
What are the key properties of 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane?
1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane has a molecular weight of 355.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepane is sourced from PubChem (CID 31162737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).