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

C17H25N7 — CID 70745589

IUPAC1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C2CCN(c3ncccn3)CC2)n1C1CC1
InChIInChI=1S/C17H25N7/c1-22(2)12-15-20-21-16(24(15)14-4-5-14)13-6-10-23(11-7-13)17-18-8-3-9-19-17/h3,8-9,13-14H,4-7,10-12H2,1-2H3
InChIKeyHUOYKPZUVXWSCL-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.85
Rot. Bonds5

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

1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70745589) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70745589
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C2CCN(c3ncccn3)CC2)n1C1CC1
InChIInChI=1S/C17H25N7/c1-22(2)12-15-20-21-16(24(15)14-4-5-14)13-6-10-23(11-7-13)17-18-8-3-9-19-17/h3,8-9,13-14H,4-7,10-12H2,1-2H3
InChIKeyHUOYKPZUVXWSCL-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70745589) is 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1nnc(C2CCN(c3ncccn3)CC2)n1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is HUOYKPZUVXWSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-22(2)12-15-20-21-16(24(15)14-4-5-14)13-6-10-23(11-7-13)17-18-8-3-9-19-17/h3,8-9,13-14H,4-7,10-12H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-cyclopropyl-5-(1-pyrimidin-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-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70745589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).