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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Related Compounds

5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-2-amine
CID 63207979
3-N-but-3-enylpyridine-3,4-diamine
CID 130570864
3-N-[2-(azetidin-1-yl)ethyl]pyridine-3,4-diamine
CID 164651945
3-(2-methylhydrazinyl)pyridin-4-amine
CID 123266008
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
N-(4-amino-3-pyridinyl)formamide
CID 174896964
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
5-N-[(3-fluorophenyl)methyl]isoquinoline-5,8-diamine
CID 43448730
3-[(2-methylanilino)methyl]pyridin-4-amine
CID 105466959

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).