1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

C13H22N6 — CID 103527578

IUPAC1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2cn(C(C)(C)C)nn2)cnn1C
InChIInChI=1S/C13H22N6/c1-10-11(7-15-18(10)5)6-14-8-12-9-19(17-16-12)13(2,3)4/h7,9,14H,6,8H2,1-5H3
InChIKeySTFIMYFEBQAITB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.36
Rot. Bonds4

About 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 103527578) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID103527578
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2cn(C(C)(C)C)nn2)cnn1C
InChIInChI=1S/C13H22N6/c1-10-11(7-15-18(10)5)6-14-8-12-9-19(17-16-12)13(2,3)4/h7,9,14H,6,8H2,1-5H3
InChIKeySTFIMYFEBQAITB-UHFFFAOYSA-N
XLogP1.36
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 103527578) is 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2cn(C(C)(C)C)nn2)cnn1C.
What is the InChIKey of 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is STFIMYFEBQAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10-11(7-15-18(10)5)6-14-8-12-9-19(17-16-12)13(2,3)4/h7,9,14H,6,8H2,1-5H3.
What are the key properties of 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltriazol-4-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103527578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).