5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine

C10H16N6 — CID 79541998

IUPAC5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
SMILESCCCc1c(N)nnn1CCn1cccn1
InChIInChI=1S/C10H16N6/c1-2-4-9-10(11)13-14-16(9)8-7-15-6-3-5-12-15/h3,5-6H,2,4,7-8,11H2,1H3
InChIKeyFRIHBOMTXKMRBG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.71
Rot. Bonds5

About 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine

5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine (PubChem CID 79541998) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
PubChem CID79541998
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
SMILESCCCc1c(N)nnn1CCn1cccn1
InChIInChI=1S/C10H16N6/c1-2-4-9-10(11)13-14-16(9)8-7-15-6-3-5-12-15/h3,5-6H,2,4,7-8,11H2,1H3
InChIKeyFRIHBOMTXKMRBG-UHFFFAOYSA-N
XLogP0.71
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
CID 79542579
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79543356
1-(2,2-difluoroethyl)-5-propyltriazol-4-amine
CID 79542477
methyl 5-ethyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate
CID 103105661
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
1-[2-(3-chlorophenoxy)ethyl]-5-propyltriazol-4-amine
CID 79542672
1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
CID 79542077
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542569
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-propyltriazol-4-amine
CID 79541889
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-propyltriazol-4-amine
CID 79536857
5-tert-butyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylic acid
CID 62059141

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine?
The IUPAC name of 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine (CID 79541998) is 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine?
The canonical SMILES for 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine is CCCc1c(N)nnn1CCn1cccn1.
What is the InChIKey of 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine?
The InChIKey is FRIHBOMTXKMRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-2-4-9-10(11)13-14-16(9)8-7-15-6-3-5-12-15/h3,5-6H,2,4,7-8,11H2,1H3.
What are the key properties of 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine?
5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 79541998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).