N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine

C17H23F2N9 — CID 177317914

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESFC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCNCC3)n2)C1
InChIInChI=1S/C17H23F2N9/c18-17(19)3-6-28(10-17)16-23-14(21-13-9-12(25-26-13)11-1-2-11)22-15(24-16)27-7-4-20-5-8-27/h9,11,20H,1-8,10H2,(H2,21,22,23,24,25,26)
InChIKeyFNNLKCYNQRTROT-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.47
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 177317914) has the molecular formula C17H23F2N9 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID177317914
Molecular FormulaC17H23F2N9
Molecular Weight391.43 g/mol
Exact Mass391.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESFC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCNCC3)n2)C1
InChIInChI=1S/C17H23F2N9/c18-17(19)3-6-28(10-17)16-23-14(21-13-9-12(25-26-13)11-1-2-11)22-15(24-16)27-7-4-20-5-8-27/h9,11,20H,1-8,10H2,(H2,21,22,23,24,25,26)
InChIKeyFNNLKCYNQRTROT-UHFFFAOYSA-N
XLogP1.47
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 177317914) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine is FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCNCC3)n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FNNLKCYNQRTROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N9/c18-17(19)3-6-28(10-17)16-23-14(21-13-9-12(25-26-13)11-1-2-11)22-15(24-16)27-7-4-20-5-8-27/h9,11,20H,1-8,10H2,(H2,21,22,23,24,25,26).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 391.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 177317914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).