2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline

C16H20N6 — CID 73258191

IUPAC2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCC(C)(C)C1CC(c2nc3c4ccccc4ncn3n2)NN1
InChIInChI=1S/C16H20N6/c1-16(2,3)13-8-12(19-20-13)14-18-15-10-6-4-5-7-11(10)17-9-22(15)21-14/h4-7,9,12-13,19-20H,8H2,1-3H3
InChIKeyIKJQFVJDGZRTHW-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.23
Rot. Bonds1

About 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 73258191) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID73258191
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCC(C)(C)C1CC(c2nc3c4ccccc4ncn3n2)NN1
InChIInChI=1S/C16H20N6/c1-16(2,3)13-8-12(19-20-13)14-18-15-10-6-4-5-7-11(10)17-9-22(15)21-14/h4-7,9,12-13,19-20H,8H2,1-3H3
InChIKeyIKJQFVJDGZRTHW-UHFFFAOYSA-N
XLogP2.23
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 75543710
2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86806672
2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583070
2-propan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 142915531
cis-(1R,3R)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylic acid
CID 7873946
trans-(1R,3S)-1,2,2-trimethyl-3-([1,2,4]triazolo[1,5-c]quinazolin-2-yl)cyclopentane-1-carboxylate
CID 7873948
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 78364896
2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583151
2-(5-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889940
2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 136814180
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3163629

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 73258191) is 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline is CC(C)(C)C1CC(c2nc3c4ccccc4ncn3n2)NN1.
What is the InChIKey of 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is IKJQFVJDGZRTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-16(2,3)13-8-12(19-20-13)14-18-15-10-6-4-5-7-11(10)17-9-22(15)21-14/h4-7,9,12-13,19-20H,8H2,1-3H3.
What are the key properties of 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 296.38 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 73258191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).