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

C10H18N4O — CID 64548619

IUPACN-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESc1n[nH]c(CCCNCC2CCOC2)n1
InChIInChI=1S/C10H18N4O/c1(2-10-12-8-13-14-10)4-11-6-9-3-5-15-7-9/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeySDCCSPOUWFWREI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.36
Rot. Bonds6

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

N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 64548619) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID64548619
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESc1n[nH]c(CCCNCC2CCOC2)n1
InChIInChI=1S/C10H18N4O/c1(2-10-12-8-13-14-10)4-11-6-9-3-5-15-7-9/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeySDCCSPOUWFWREI-UHFFFAOYSA-N
XLogP0.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

rac-methyl({[(2R,3R)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl})amine dihydrochloride
CID 132372784
[5-(oxolan-3-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 65329448
N-methyl-1-[(2R,3R)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine
CID 132372785
N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 154785399
5-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167818037
3-(tetrahydrofuran-3-yl)-4H-1,2,4-triazole
CID 132090434
5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 132090435
N-[3-[2-(1H-1,2,4-triazol-5-yl)ethoxy]propyl]pent-3-yn-1-amine
CID 169964310
N-[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]propyl]pent-3-yn-1-amine
CID 169964312
N-(3-pent-3-ynoxypropyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 169964313
3-hex-4-ynoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 169964314
N-[4-[2-(1H-1,2,4-triazol-5-yl)ethoxy]butyl]pent-3-yn-1-amine
CID 169964315

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 64548619) is N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is c1n[nH]c(CCCNCC2CCOC2)n1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is SDCCSPOUWFWREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1(2-10-12-8-13-14-10)4-11-6-9-3-5-15-7-9/h8-9,11H,1-7H2,(H,12,13,14).
What are the key properties of N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 64548619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).