2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine

C18H23N7 — CID 133448924

IUPAC2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
SMILESCC(C)n1cnnc1C1CCCN(c2nc(N)c3ccccc3n2)C1
InChIInChI=1S/C18H23N7/c1-12(2)25-11-20-23-17(25)13-6-5-9-24(10-13)18-21-15-8-4-3-7-14(15)16(19)22-18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,19,21,22)
InChIKeyFGNTYQMBFYJVHL-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.77
Rot. Bonds3

About 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine

2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine (PubChem CID 133448924) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
PubChem CID133448924
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
SMILESCC(C)n1cnnc1C1CCCN(c2nc(N)c3ccccc3n2)C1
InChIInChI=1S/C18H23N7/c1-12(2)25-11-20-23-17(25)13-6-5-9-24(10-13)18-21-15-8-4-3-7-14(15)16(19)22-18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,19,21,22)
InChIKeyFGNTYQMBFYJVHL-UHFFFAOYSA-N
XLogP2.77
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448836
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
CID 133454441
1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 133448976
8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448951
8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133449020
4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133448919
3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 97086014
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
CID 154857857
2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 124883360
3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
CID 133448850

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine?
The IUPAC name of 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine (CID 133448924) is 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine is CC(C)n1cnnc1C1CCCN(c2nc(N)c3ccccc3n2)C1.
What is the InChIKey of 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine?
The InChIKey is FGNTYQMBFYJVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-12(2)25-11-20-23-17(25)13-6-5-9-24(10-13)18-21-15-8-4-3-7-14(15)16(19)22-18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine?
2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 133448924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).