7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H16N4 — CID 68574948

IUPAC7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCCCCc1ccn2nc(N)nc2c1
InChIInChI=1S/C11H16N4/c1-2-3-4-5-9-6-7-15-10(8-9)13-11(12)14-15/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyMDNPBUFWUMRJRV-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.04
Rot. Bonds4

About 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 68574948) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID68574948
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCCCCc1ccn2nc(N)nc2c1
InChIInChI=1S/C11H16N4/c1-2-3-4-5-9-6-7-15-10(8-9)13-11(12)14-15/h6-8H,2-5H2,1H3,(H2,12,14)
InChIKeyMDNPBUFWUMRJRV-UHFFFAOYSA-N
XLogP2.04
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-N-benzyl-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
CID 82555742
3-pentylaniline
CID 19911390
3-docosylaniline
CID 139654071
2-fluoro-4-pentylaniline
CID 146198864
2-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 91357046
1,3-di(tetradecyl)benzene
CID 91053224
4-hexyl-2-methoxyaniline
CID 70551686
7-octylanthracen-2-amine
CID 87887056
6-pentylphthalazine
CID 21134765
4-heptyl-2-methylaniline
CID 23348805
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
5-decylbenzene-1,3-diamine
CID 134222532

Frequently Asked Questions

What is the IUPAC name of 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 68574948) is 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCCCCc1ccn2nc(N)nc2c1.
What is the InChIKey of 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MDNPBUFWUMRJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-3-4-5-9-6-7-15-10(8-9)13-11(12)14-15/h6-8H,2-5H2,1H3,(H2,12,14).
What are the key properties of 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 204.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 68574948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).