3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine

C7H9N7 — CID 130570788

IUPAC3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine
SMILESNc1ccncc1NCc1nn[nH]n1
InChIInChI=1S/C7H9N7/c8-5-1-2-9-3-6(5)10-4-7-11-13-14-12-7/h1-3,10H,4H2,(H2,8,9)(H,11,12,13,14)
InChIKeyJFQUQUXFYUPPOP-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.21
Rot. Bonds3

About 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine

3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine (PubChem CID 130570788) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine
PubChem CID130570788
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine
SMILESNc1ccncc1NCc1nn[nH]n1
InChIInChI=1S/C7H9N7/c8-5-1-2-9-3-6(5)10-4-7-11-13-14-12-7/h1-3,10H,4H2,(H2,8,9)(H,11,12,13,14)
InChIKeyJFQUQUXFYUPPOP-UHFFFAOYSA-N
XLogP-0.21
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine (CID 130570788) is 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine is Nc1ccncc1NCc1nn[nH]n1.
What is the InChIKey of 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine?
The InChIKey is JFQUQUXFYUPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-5-1-2-9-3-6(5)10-4-7-11-13-14-12-7/h1-3,10H,4H2,(H2,8,9)(H,11,12,13,14).
What are the key properties of 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine?
3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine has a molecular weight of 191.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2H-tetrazol-5-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 130570788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).