3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine

C7H10N6 — CID 163896125

IUPAC3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine
SMILESNc1ccncc1N1C=C[N-][NH+]1N
InChIInChI=1S/C7H10N6/c8-6-1-2-10-5-7(6)12-4-3-11-13(12)9/h1-5,13H,9H2,(H2,8,10)
InChIKeyQFTSFVWFTPUMBY-UHFFFAOYSA-N
MW178.20 g/mol
LogP-1.08
Rot. Bonds1

About 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine

3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine (PubChem CID 163896125) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine
PubChem CID163896125
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine
SMILESNc1ccncc1N1C=C[N-][NH+]1N
InChIInChI=1S/C7H10N6/c8-6-1-2-10-5-7(6)12-4-3-11-13(12)9/h1-5,13H,9H2,(H2,8,10)
InChIKeyQFTSFVWFTPUMBY-UHFFFAOYSA-N
XLogP-1.08
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-3-amine
CID 163556840
3-(triazol-1-yl)pyridin-4-amine
CID 84651204
4-aminopyridine-3-thiol
CID 14062661
4-pyrrol-1-ylpyridin-3-amine
CID 63062600
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
ethane;molecular hydrogen;pyridine-3,4-diamine
CID 143900144
4-aminopyridin-3-ol;dihydrochloride
CID 127255436
1-(4-amino-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671788
3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114716552
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-(bromomethyl)pyridin-4-amine
CID 18674607

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine?
The IUPAC name of 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine (CID 163896125) is 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine.
What is the SMILES notation for 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine?
The canonical SMILES for 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine is Nc1ccncc1N1C=C[N-][NH+]1N.
What is the InChIKey of 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine?
The InChIKey is QFTSFVWFTPUMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c8-6-1-2-10-5-7(6)12-4-3-11-13(12)9/h1-5,13H,9H2,(H2,8,10).
What are the key properties of 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine?
3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine has a molecular weight of 178.20 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-aza-2-azonia-3-azanidacyclopent-4-en-1-yl)pyridin-4-amine is sourced from PubChem (CID 163896125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).