1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

C12H23N5 — CID 114170762

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCCn1cnnc1CN1CCC(NC(C)C)C1
InChIInChI=1S/C12H23N5/c1-4-17-9-13-15-12(17)8-16-6-5-11(7-16)14-10(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyRZXUKGRQAUDHKA-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.87
Rot. Bonds5

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 114170762) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID114170762
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCCn1cnnc1CN1CCC(NC(C)C)C1
InChIInChI=1S/C12H23N5/c1-4-17-9-13-15-12(17)8-16-6-5-11(7-16)14-10(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyRZXUKGRQAUDHKA-UHFFFAOYSA-N
XLogP0.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302599
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 106302127
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302597
3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
1-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 115769824
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115688865
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 113260212

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine (CID 114170762) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is CCn1cnnc1CN1CCC(NC(C)C)C1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is RZXUKGRQAUDHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-17-9-13-15-12(17)8-16-6-5-11(7-16)14-10(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 114170762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).