2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine

C21H19N7 — CID 47024964

IUPAC2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3ccc(Cn4cncn4)cc3)c3ccccc3n2n1
InChIInChI=1S/C21H19N7/c1-15-10-20-25-21(18-4-2-3-5-19(18)28(20)26-15)23-11-16-6-8-17(9-7-16)12-27-14-22-13-24-27/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyVLGPAOKOUPGXOZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.44
Rot. Bonds5

About 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 47024964) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID47024964
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3ccc(Cn4cncn4)cc3)c3ccccc3n2n1
InChIInChI=1S/C21H19N7/c1-15-10-20-25-21(18-4-2-3-5-19(18)28(20)26-15)23-11-16-6-8-17(9-7-16)12-27-14-22-13-24-27/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyVLGPAOKOUPGXOZ-UHFFFAOYSA-N
XLogP3.44
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 47024964) is 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NCc3ccc(Cn4cncn4)cc3)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is VLGPAOKOUPGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-15-10-20-25-21(18-4-2-3-5-19(18)28(20)26-15)23-11-16-6-8-17(9-7-16)12-27-14-22-13-24-27/h2-10,13-14H,11-12H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 369.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 47024964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).