N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine

C13H25N5O — CID 164636521

IUPACN,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)[C@@H]1CN(c2nnc(CN(C)C)n2C)CCO1
InChIInChI=1S/C13H25N5O/c1-10(2)11-8-18(6-7-19-11)13-15-14-12(17(13)5)9-16(3)4/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyCHHMEQYTOUBHIE-NSHDSACASA-N
MW267.38 g/mol
LogP0.74
Rot. Bonds4

About N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine

N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 164636521) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID164636521
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)[C@@H]1CN(c2nnc(CN(C)C)n2C)CCO1
InChIInChI=1S/C13H25N5O/c1-10(2)11-8-18(6-7-19-11)13-15-14-12(17(13)5)9-16(3)4/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyCHHMEQYTOUBHIE-NSHDSACASA-N
XLogP0.74
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine (CID 164636521) is N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine is CC(C)[C@@H]1CN(c2nnc(CN(C)C)n2C)CCO1.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CHHMEQYTOUBHIE-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)11-8-18(6-7-19-11)13-15-14-12(17(13)5)9-16(3)4/h10-11H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine?
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 164636521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).