N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C24H25N9 — CID 10388491

IUPACN,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCCCc1nc(C)n2nc(NC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H25N9/c1-4-7-21-20(23-27-24(25-3)30-33(23)15(2)26-21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-28-31-32-29-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,25,30)(H,28,29,31,32)
InChIKeyLCVCAYHJUFCPMU-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.86
Rot. Bonds7

About N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 10388491) has the molecular formula C24H25N9 and a molecular weight of 439.53 g/mol. Its IUPAC name is N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID10388491
Molecular FormulaC24H25N9
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC NameN,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCCCc1nc(C)n2nc(NC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H25N9/c1-4-7-21-20(23-27-24(25-3)30-33(23)15(2)26-21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-28-31-32-29-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,25,30)(H,28,29,31,32)
InChIKeyLCVCAYHJUFCPMU-UHFFFAOYSA-N
XLogP3.86
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 10388491) is N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is CCCc1nc(C)n2nc(NC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is LCVCAYHJUFCPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9/c1-4-7-21-20(23-27-24(25-3)30-33(23)15(2)26-21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-28-31-32-29-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,25,30)(H,28,29,31,32).
What are the key properties of N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 439.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 10388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).