2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine

C16H24N8 — CID 30897343

IUPAC2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)nc1
InChIInChI=1S/C16H24N8/c1-4-18-16(19-5-1)23-8-2-15(3-9-23)24-13-14(20-21-24)12-22-10-6-17-7-11-22/h1,4-5,13,15,17H,2-3,6-12H2
InChIKeyPSGDGMIFRZHJQI-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.31
Rot. Bonds4

About 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine

2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 30897343) has the molecular formula C16H24N8 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID30897343
Molecular FormulaC16H24N8
Molecular Weight328.42 g/mol
Exact Mass328.21
IUPAC Name2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)nc1
InChIInChI=1S/C16H24N8/c1-4-18-16(19-5-1)23-8-2-15(3-9-23)24-13-14(20-21-24)12-22-10-6-17-7-11-22/h1,4-5,13,15,17H,2-3,6-12H2
InChIKeyPSGDGMIFRZHJQI-UHFFFAOYSA-N
XLogP0.31
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 118965334
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137632745
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 137638711
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 137649371
3-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-methylpyrimidin-4-yl]amino]piperidin-1-yl]propanenitrile
CID 137658485
6-chloro-2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137662117
5-((6-(4-Aminopiperidin-1-yl)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 56926363
N-methyl-6-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933042
4-amino-1-(4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 14726863
4-(2-butyl)amino-1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 14726867
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
1-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 118965336

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine (CID 30897343) is 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine is c1cnc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)nc1.
What is the InChIKey of 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is PSGDGMIFRZHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8/c1-4-18-16(19-5-1)23-8-2-15(3-9-23)24-13-14(20-21-24)12-22-10-6-17-7-11-22/h1,4-5,13,15,17H,2-3,6-12H2.
What are the key properties of 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 328.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(piperazin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 30897343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).