1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine

C20H27N7 — CID 56863169

IUPAC1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2cc(C)n(-n3cnnc3)c2C)CC1
InChIInChI=1S/C20H27N7/c1-16-5-4-6-21-20(16)13-25-9-7-24(8-10-25)12-19-11-17(2)27(18(19)3)26-14-22-23-15-26/h4-6,11,14-15H,7-10,12-13H2,1-3H3
InChIKeyUVWQXRTTWRLSJC-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.03
Rot. Bonds5

About 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine

1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 56863169) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
PubChem CID56863169
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2cc(C)n(-n3cnnc3)c2C)CC1
InChIInChI=1S/C20H27N7/c1-16-5-4-6-21-20(16)13-25-9-7-24(8-10-25)12-19-11-17(2)27(18(19)3)26-14-22-23-15-26/h4-6,11,14-15H,7-10,12-13H2,1-3H3
InChIKeyUVWQXRTTWRLSJC-UHFFFAOYSA-N
XLogP2.03
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine with MolForge

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Related Compounds

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 70714057
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
CID 115981994

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine (CID 56863169) is 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine is Cc1cccnc1CN1CCN(Cc2cc(C)n(-n3cnnc3)c2C)CC1.
What is the InChIKey of 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is UVWQXRTTWRLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-16-5-4-6-21-20(16)13-25-9-7-24(8-10-25)12-19-11-17(2)27(18(19)3)26-14-22-23-15-26/h4-6,11,14-15H,7-10,12-13H2,1-3H3.
What are the key properties of 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 365.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 56863169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).