1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine

C20H32N8 — CID 31004832

IUPAC1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine
SMILESCc1cnc(C)c(N2CCC(Cn3cc(CN4CCC(N)CC4)nn3)CC2)n1
InChIInChI=1S/C20H32N8/c1-15-11-22-16(2)20(23-15)27-9-3-17(4-10-27)12-28-14-19(24-25-28)13-26-7-5-18(21)6-8-26/h11,14,17-18H,3-10,12-13,21H2,1-2H3
InChIKeyYJHTWIKOVUXZIP-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.52
Rot. Bonds5

About 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine

1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine (PubChem CID 31004832) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine
PubChem CID31004832
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC Name1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine
SMILESCc1cnc(C)c(N2CCC(Cn3cc(CN4CCC(N)CC4)nn3)CC2)n1
InChIInChI=1S/C20H32N8/c1-15-11-22-16(2)20(23-15)27-9-3-17(4-10-27)12-28-14-19(24-25-28)13-26-7-5-18(21)6-8-26/h11,14,17-18H,3-10,12-13,21H2,1-2H3
InChIKeyYJHTWIKOVUXZIP-UHFFFAOYSA-N
XLogP1.52
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-[[1-[[1-(3,6-Dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 154887289
4-[[1-[[1-(3-Methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 30956850
5-methyl-2-(4-{[4-(1-piperidinylmethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)-4-pyrimidinamine bis(trifluoroacetate)
CID 31161829
[1-[3-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine
CID 66612934
2-N-[[1-[3-[2-(cyclohexylamino)ethylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 118965845
2-N-[[1-[3-[2-(cyclohexylamino)ethylamino]propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 118965848
2-N-[[1-[3-[4-(cyclohexylamino)butylamino]propyl]triazol-4-yl]methyl]-4-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine
CID 118965850
N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidin-4-yl]amino]methyl]triazol-1-yl]propyl]ethane-1,2-diamine
CID 118965860
6-piperazin-1-yl-2-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]pyrimidine-2,4-diamine
CID 118965866
N'-cyclohexyl-N-[3-[4-[[[4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-yl]amino]methyl]triazol-1-yl]propyl]ethane-1,2-diamine
CID 118965996
N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidin-4-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine
CID 134166596
N-({1-[1-(3-methyl-2-pyrazinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)urea trifluoroacetate
CID 28133479

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine (CID 31004832) is 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine is Cc1cnc(C)c(N2CCC(Cn3cc(CN4CCC(N)CC4)nn3)CC2)n1.
What is the InChIKey of 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is YJHTWIKOVUXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c1-15-11-22-16(2)20(23-15)27-9-3-17(4-10-27)12-28-14-19(24-25-28)13-26-7-5-18(21)6-8-26/h11,14,17-18H,3-10,12-13,21H2,1-2H3.
What are the key properties of 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine?
1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 31004832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).