1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine

C27H24N10 — CID 102527432

IUPAC1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CN(Cc3cn(-c4ccccc4)nn3)Cc3cn(-c4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C27H24N10/c1-4-10-25(11-5-1)35-19-22(28-31-35)16-34(17-23-20-36(32-29-23)26-12-6-2-7-13-26)18-24-21-37(33-30-24)27-14-8-3-9-15-27/h1-15,19-21H,16-18H2
InChIKeyGHUSKNGKXNJXPC-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.63
Rot. Bonds9

About 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine

1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 102527432) has the molecular formula C27H24N10 and a molecular weight of 488.56 g/mol. Its IUPAC name is 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine
PubChem CID102527432
Molecular FormulaC27H24N10
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CN(Cc3cn(-c4ccccc4)nn3)Cc3cn(-c4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C27H24N10/c1-4-10-25(11-5-1)35-19-22(28-31-35)16-34(17-23-20-36(32-29-23)26-12-6-2-7-13-26)18-24-21-37(33-30-24)27-14-8-3-9-15-27/h1-15,19-21H,16-18H2
InChIKeyGHUSKNGKXNJXPC-UHFFFAOYSA-N
XLogP3.63
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine (CID 102527432) is 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine is c1ccc(-n2cc(CN(Cc3cn(-c4ccccc4)nn3)Cc3cn(-c4ccccc4)nn3)nn2)cc1.
What is the InChIKey of 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is GHUSKNGKXNJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N10/c1-4-10-25(11-5-1)35-19-22(28-31-35)16-34(17-23-20-36(32-29-23)26-12-6-2-7-13-26)18-24-21-37(33-30-24)27-14-8-3-9-15-27/h1-15,19-21H,16-18H2.
What are the key properties of 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine?
1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 488.56 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltriazol-4-yl)-N,N-bis[(1-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 102527432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).