N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

C11H18N6 — CID 65360742

IUPACN-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)c1ncn[nH]1
InChIInChI=1S/C11H18N6/c1-3-5-12-10(11-13-8-14-16-11)9-6-15-17(4-2)7-9/h6-8,10,12H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyKFCDJDYUZLQTKG-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.11
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (PubChem CID 65360742) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
PubChem CID65360742
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)c1ncn[nH]1
InChIInChI=1S/C11H18N6/c1-3-5-12-10(11-13-8-14-16-11)9-6-15-17(4-2)7-9/h6-8,10,12H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyKFCDJDYUZLQTKG-UHFFFAOYSA-N
XLogP1.11
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (CID 65360742) is N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnn(CC)c1)c1ncn[nH]1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The InChIKey is KFCDJDYUZLQTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-5-12-10(11-13-8-14-16-11)9-6-15-17(4-2)7-9/h6-8,10,12H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine has a molecular weight of 234.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65360742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).