N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline

C18H18N6 — CID 2921355

IUPACN,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline
SMILESCN(C)c1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1
InChIInChI=1S/C18H18N6/c1-23(2)15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)19-18-20-21-22-24(17)18/h3-12,17H,1-2H3,(H,19,20,22)
InChIKeySOWOKGYQZLNNFI-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.80
Rot. Bonds3

About N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline

N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline (PubChem CID 2921355) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline
PubChem CID2921355
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC NameN,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline
SMILESCN(C)c1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1
InChIInChI=1S/C18H18N6/c1-23(2)15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)19-18-20-21-22-24(17)18/h3-12,17H,1-2H3,(H,19,20,22)
InChIKeySOWOKGYQZLNNFI-UHFFFAOYSA-N
XLogP2.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline (CID 2921355) is N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline is CN(C)c1ccc(C2C=C(c3ccccc3)Nc3nnnn32)cc1.
What is the InChIKey of N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline?
The InChIKey is SOWOKGYQZLNNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-23(2)15-10-8-14(9-11-15)17-12-16(13-6-4-3-5-7-13)19-18-20-21-22-24(17)18/h3-12,17H,1-2H3,(H,19,20,22).
What are the key properties of N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline?
N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline has a molecular weight of 318.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)aniline is sourced from PubChem (CID 2921355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).