N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

C10H18N4O — CID 65360520

IUPACN-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncn[nH]1)C1CCOC1
InChIInChI=1S/C10H18N4O/c1-2-4-11-9(8-3-5-15-6-8)10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyKGETUWMJMRWDJW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds5

About N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (PubChem CID 65360520) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
PubChem CID65360520
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncn[nH]1)C1CCOC1
InChIInChI=1S/C10H18N4O/c1-2-4-11-9(8-3-5-15-6-8)10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyKGETUWMJMRWDJW-UHFFFAOYSA-N
XLogP0.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (CID 65360520) is N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is CCCNC(c1ncn[nH]1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The InChIKey is KGETUWMJMRWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-4-11-9(8-3-5-15-6-8)10-12-7-13-14-10/h7-9,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65360520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).