N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine

C22H17N7 — CID 59661069

IUPACN,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
SMILESc1ccc(N(c2ncn(-c3ccccc3)n2)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N7/c1-4-10-18(11-5-1)27-16-23-21(25-27)29(20-14-8-3-9-15-20)22-24-17-28(26-22)19-12-6-2-7-13-19/h1-17H
InChIKeyBSGKNKXINFYTLH-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.32
Rot. Bonds5

About N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine

N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine (PubChem CID 59661069) has the molecular formula C22H17N7 and a molecular weight of 379.43 g/mol. Its IUPAC name is N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
PubChem CID59661069
Molecular FormulaC22H17N7
Molecular Weight379.43 g/mol
Exact Mass379.15
IUPAC NameN,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
SMILESc1ccc(N(c2ncn(-c3ccccc3)n2)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N7/c1-4-10-18(11-5-1)27-16-23-21(25-27)29(20-14-8-3-9-15-20)22-24-17-28(26-22)19-12-6-2-7-13-19/h1-17H
InChIKeyBSGKNKXINFYTLH-UHFFFAOYSA-N
XLogP4.32
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
CID 59661149
N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)
CID 59661047
1-phenyl-1,2,4-triazole-3-carbaldehyde
CID 15707892
N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 51362394
2-(1-phenyl-1,2,4-triazol-3-yl)phenol
CID 135810285
N,N-diphenylaniline;silane
CID 131739129
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
2-phenylpyrazolo[4,3-b]pyridine
CID 118393811
azane;N,N-diphenylaniline;methane
CID 174725062
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine (CID 59661069) is N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine is c1ccc(N(c2ncn(-c3ccccc3)n2)c2ncn(-c3ccccc3)n2)cc1.
What is the InChIKey of N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is BSGKNKXINFYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7/c1-4-10-18(11-5-1)27-16-23-21(25-27)29(20-14-8-3-9-15-20)22-24-17-28(26-22)19-12-6-2-7-13-19/h1-17H.
What are the key properties of N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 379.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 59661069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).