1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine

C10H18N4O — CID 105043604

IUPAC1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCn1nncc1C(N)CCC1CCCO1
InChIInChI=1S/C10H18N4O/c1-14-10(7-12-13-14)9(11)5-4-8-3-2-6-15-8/h7-9H,2-6,11H2,1H3
InChIKeyDLOOJXLYPNKDBK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.77
Rot. Bonds4

About 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine

1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 105043604) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID105043604
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCn1nncc1C(N)CCC1CCCO1
InChIInChI=1S/C10H18N4O/c1-14-10(7-12-13-14)9(11)5-4-8-3-2-6-15-8/h7-9H,2-6,11H2,1H3
InChIKeyDLOOJXLYPNKDBK-UHFFFAOYSA-N
XLogP0.77
TPSA65.96 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 82895309
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314237
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104789721
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine (CID 105043604) is 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine is Cn1nncc1C(N)CCC1CCCO1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is DLOOJXLYPNKDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-10(7-12-13-14)9(11)5-4-8-3-2-6-15-8/h7-9H,2-6,11H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine?
1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 105043604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).