1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine

C10H18N4O — CID 43703258

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1nncn1C
InChIInChI=1S/C10H18N4O/c1-8(10-13-12-7-14(10)2)11-5-9-3-4-15-6-9/h7-9,11H,3-6H2,1-2H3
InChIKeyVDMAOWSDFKUSNS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.50
Rot. Bonds4

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43703258) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43703258
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1nncn1C
InChIInChI=1S/C10H18N4O/c1-8(10-13-12-7-14(10)2)11-5-9-3-4-15-6-9/h7-9,11H,3-6H2,1-2H3
InChIKeyVDMAOWSDFKUSNS-UHFFFAOYSA-N
XLogP0.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
1-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propyl]-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]urea
CID 128410511
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62119200
4,4,4-trifluoro-N-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]methyl}butan-2-amine
CID 124210084
(2R)-4,4,4-trifluoro-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]butan-2-amine
CID 125520237
(2S)-4,4,4-trifluoro-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]butan-2-amine
CID 125520238
N-[3-(2,2-difluoroethoxy)propyl]-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 132314259
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187
1-Cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
CID 71892945
1-[4-(3-Methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 45791118

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43703258) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is VDMAOWSDFKUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(10-13-12-7-14(10)2)11-5-9-3-4-15-6-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43703258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).