N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H22N6 — CID 53003469

IUPACN-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn12
InChIInChI=1S/C17H22N6/c1-5-12(4)19-15-9-14(11(2)3)20-17-21-16(22-23(15)17)13-7-6-8-18-10-13/h6-12,19H,5H2,1-4H3
InChIKeyQPHQDLMEJSUJIQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.52
Rot. Bonds5

About N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53003469) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53003469
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC NameN-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn12
InChIInChI=1S/C17H22N6/c1-5-12(4)19-15-9-14(11(2)3)20-17-21-16(22-23(15)17)13-7-6-8-18-10-13/h6-12,19H,5H2,1-4H3
InChIKeyQPHQDLMEJSUJIQ-UHFFFAOYSA-N
XLogP3.52
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045694
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045692
N-(3-methoxyphenyl)-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045668
5-phenyl-N-(4-phenylbutan-2-yl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53003478
5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 93064915
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045708
5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 52998550
5-methyl-2-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 27186929
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylbenzamide
CID 53046018
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone
CID 52998556
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53003469) is N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(C)Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn12.
What is the InChIKey of N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QPHQDLMEJSUJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-5-12(4)19-15-9-14(11(2)3)20-17-21-16(22-23(15)17)13-7-6-8-18-10-13/h6-12,19H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-propan-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53003469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).