5-pyridin-4-yl-1,2,4-triazolidin-3-amine

C7H11N5 — CID 170906378

IUPAC5-pyridin-4-yl-1,2,4-triazolidin-3-amine
SMILESNC1NNC(c2ccncc2)N1
InChIInChI=1S/C7H11N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4,6-7,10-12H,8H2
InChIKeyNUHYCXKHQKMZNG-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.98
Rot. Bonds1

About 5-pyridin-4-yl-1,2,4-triazolidin-3-amine

5-pyridin-4-yl-1,2,4-triazolidin-3-amine (PubChem CID 170906378) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,2,4-triazolidin-3-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-1,2,4-triazolidin-3-amine
PubChem CID170906378
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name5-pyridin-4-yl-1,2,4-triazolidin-3-amine
SMILESNC1NNC(c2ccncc2)N1
InChIInChI=1S/C7H11N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4,6-7,10-12H,8H2
InChIKeyNUHYCXKHQKMZNG-UHFFFAOYSA-N
XLogP-0.98
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-ylpyrrolidin-3-amine
CID 83682306
4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
CID 129493482
(2S,4R,6S)-2-methyl-6-pyridin-4-ylpiperidin-4-amine
CID 82656345
4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
CID 50989563
5-amino-4-pyridin-4-ylpyrazolidine-3-carboxylic acid
CID 164662420
4-pyrazolidin-3-ylpyridine
CID 71650385
(2R,3R)-2-pyridin-4-yloxolan-3-amine
CID 124708910
(2R,3S)-2-pyridin-4-yloxolan-3-amine
CID 119032003
(2R)-2-pyridin-4-yl-1,3-oxazolidine
CID 94252095
4-(5-methylpyrazolidin-3-yl)pyridine
CID 78180806
4-(4,5-dihydro-1H-triazol-5-yl)pyridine
CID 91182101

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,2,4-triazolidin-3-amine?
The IUPAC name of 5-pyridin-4-yl-1,2,4-triazolidin-3-amine (CID 170906378) is 5-pyridin-4-yl-1,2,4-triazolidin-3-amine.
What is the SMILES notation for 5-pyridin-4-yl-1,2,4-triazolidin-3-amine?
The canonical SMILES for 5-pyridin-4-yl-1,2,4-triazolidin-3-amine is NC1NNC(c2ccncc2)N1.
What is the InChIKey of 5-pyridin-4-yl-1,2,4-triazolidin-3-amine?
The InChIKey is NUHYCXKHQKMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4,6-7,10-12H,8H2.
What are the key properties of 5-pyridin-4-yl-1,2,4-triazolidin-3-amine?
5-pyridin-4-yl-1,2,4-triazolidin-3-amine has a molecular weight of 165.20 g/mol, XLogP of -0.98, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1,2,4-triazolidin-3-amine is sourced from PubChem (CID 170906378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).