N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C14H14N10 — CID 71852756

IUPACN'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESc1ccc(-n2nnnc2NCCNc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C14H14N10/c1-2-4-10(5-3-1)24-14(21-22-23-24)16-7-6-15-12-11-8-19-20-13(11)18-9-17-12/h1-5,8-9H,6-7H2,(H,16,21,23)(H2,15,17,18,19,20)
InChIKeyTWINUCNDVCFPIG-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.85
Rot. Bonds6

About N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 71852756) has the molecular formula C14H14N10 and a molecular weight of 322.34 g/mol. Its IUPAC name is N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID71852756
Molecular FormulaC14H14N10
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC NameN'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESc1ccc(-n2nnnc2NCCNc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C14H14N10/c1-2-4-10(5-3-1)24-14(21-22-23-24)16-7-6-15-12-11-8-19-20-13(11)18-9-17-12/h1-5,8-9H,6-7H2,(H,16,21,23)(H2,15,17,18,19,20)
InChIKeyTWINUCNDVCFPIG-UHFFFAOYSA-N
XLogP0.85
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
CID 133412546
N-(2-cyclopropylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133324202
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365495
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
N-(3-methylsulfanylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305074

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 71852756) is N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is c1ccc(-n2nnnc2NCCNc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is TWINUCNDVCFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N10/c1-2-4-10(5-3-1)24-14(21-22-23-24)16-7-6-15-12-11-8-19-20-13(11)18-9-17-12/h1-5,8-9H,6-7H2,(H,16,21,23)(H2,15,17,18,19,20).
What are the key properties of N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 322.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 71852756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).