N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine

C11H20N4O — CID 115889962

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1nncn1C1CC1
InChIInChI=1S/C11H20N4O/c1-3-9(7-16-2)12-6-11-14-13-8-15(11)10-4-5-10/h8-10,12H,3-7H2,1-2H3
InChIKeyCFTJDJBWDOXEEY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.13
Rot. Bonds7

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine (PubChem CID 115889962) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine
PubChem CID115889962
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1nncn1C1CC1
InChIInChI=1S/C11H20N4O/c1-3-9(7-16-2)12-6-11-14-13-8-15(11)10-4-5-10/h8-10,12H,3-7H2,1-2H3
InChIKeyCFTJDJBWDOXEEY-UHFFFAOYSA-N
XLogP1.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115889958
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115889963
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79270074
1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115709297
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 62696043
4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
CID 115394287
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-phenoxypropan-2-amine
CID 95121618
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115689262
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 106302966

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine (CID 115889962) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine is CCC(COC)NCc1nncn1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine?
The InChIKey is CFTJDJBWDOXEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(7-16-2)12-6-11-14-13-8-15(11)10-4-5-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine is sourced from PubChem (CID 115889962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).