8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C10H11IN4 — CID 90708909

IUPAC8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2c(CC3CC3)c(I)ccn12
InChIInChI=1S/C10H11IN4/c11-8-3-4-15-9(13-14-10(15)12)7(8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,14)
InChIKeyKFYCYPNNQGVUHY-UHFFFAOYSA-N
MW314.13 g/mol
LogP1.87
Rot. Bonds2

About 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine

8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 90708909) has the molecular formula C10H11IN4 and a molecular weight of 314.13 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID90708909
Molecular FormulaC10H11IN4
Molecular Weight314.13 g/mol
Exact Mass314.00
IUPAC Name8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2c(CC3CC3)c(I)ccn12
InChIInChI=1S/C10H11IN4/c11-8-3-4-15-9(13-14-10(15)12)7(8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,14)
InChIKeyKFYCYPNNQGVUHY-UHFFFAOYSA-N
XLogP1.87
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 90708909) is 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Nc1nnc2c(CC3CC3)c(I)ccn12.
What is the InChIKey of 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is KFYCYPNNQGVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4/c11-8-3-4-15-9(13-14-10(15)12)7(8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,14).
What are the key properties of 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 314.13 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 90708909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).