N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

C15H16N10 — CID 133354402

IUPACN-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2nnnn2-c2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H16N10/c1-11-9-13(25-14(20-11)18-10-19-25)16-7-8-17-15-21-22-23-24(15)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H,17,21,23)
InChIKeyYCINUHNJCLNBBX-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.93
Rot. Bonds6

About N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (PubChem CID 133354402) has the molecular formula C15H16N10 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
PubChem CID133354402
Molecular FormulaC15H16N10
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC NameN-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2nnnn2-c2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H16N10/c1-11-9-13(25-14(20-11)18-10-19-25)16-7-8-17-15-21-22-23-24(15)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H,17,21,23)
InChIKeyYCINUHNJCLNBBX-UHFFFAOYSA-N
XLogP0.93
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (CID 133354402) is N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is Cc1cc(NCCNc2nnnn2-c2ccccc2)n2ncnc2n1.
What is the InChIKey of N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The InChIKey is YCINUHNJCLNBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N10/c1-11-9-13(25-14(20-11)18-10-19-25)16-7-8-17-15-21-22-23-24(15)12-5-3-2-4-6-12/h2-6,9-10,16H,7-8H2,1H3,(H,17,21,23).
What are the key properties of N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine has a molecular weight of 336.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 133354402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).