1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C17H25N7 — CID 70737628

IUPAC1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C2CCN(c3cnccn3)CC2)n1C1CC1
InChIInChI=1S/C17H25N7/c1-22(2)12-16-20-21-17(24(16)14-3-4-14)13-5-9-23(10-6-13)15-11-18-7-8-19-15/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyPSWDSEPQBOAVIN-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.85
Rot. Bonds5

About 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70737628) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70737628
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C2CCN(c3cnccn3)CC2)n1C1CC1
InChIInChI=1S/C17H25N7/c1-22(2)12-16-20-21-17(24(16)14-3-4-14)13-5-9-23(10-6-13)15-11-18-7-8-19-15/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyPSWDSEPQBOAVIN-UHFFFAOYSA-N
XLogP1.85
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-cyclopropyl-5-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70747237
[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70710150
cyclopentyl-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70786110
4-cyclopropyl-5-propan-2-yl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 18150111
6-tert-butyl-3-(1-pyrazin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910534
4-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyrimidine
CID 72914185
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328
4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 70768111
3-[3-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 72853652
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
N,N,6-trimethyl-2-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 95816992

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70737628) is 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1nnc(C2CCN(c3cnccn3)CC2)n1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is PSWDSEPQBOAVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-22(2)12-16-20-21-17(24(16)14-3-4-14)13-5-9-23(10-6-13)15-11-18-7-8-19-15/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 327.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-5-(1-pyrazin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70737628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).