1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

C11H18N6 — CID 62721619

IUPAC1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESCn1nc(C(C)(C)C)nc1Cn1cc(N)cn1
InChIInChI=1S/C11H18N6/c1-11(2,3)10-14-9(16(4)15-10)7-17-6-8(12)5-13-17/h5-6H,7,12H2,1-4H3
InChIKeyQNQCSEJQONYVKX-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.94
Rot. Bonds2

About 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine

1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 62721619) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
PubChem CID62721619
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
SMILESCn1nc(C(C)(C)C)nc1Cn1cc(N)cn1
InChIInChI=1S/C11H18N6/c1-11(2,3)10-14-9(16(4)15-10)7-17-6-8(12)5-13-17/h5-6H,7,12H2,1-4H3
InChIKeyQNQCSEJQONYVKX-UHFFFAOYSA-N
XLogP0.94
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62721417
(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methanol
CID 156722449
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 62721080
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62694920
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62697375
5-(azetidin-3-ylmethyl)-3-tert-butyl-1-methyl-1,2,4-triazole
CID 64610850
4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62721082
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 64799954
1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 63085525
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine (CID 62721619) is 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is Cn1nc(C(C)(C)C)nc1Cn1cc(N)cn1.
What is the InChIKey of 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is QNQCSEJQONYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-11(2,3)10-14-9(16(4)15-10)7-17-6-8(12)5-13-17/h5-6H,7,12H2,1-4H3.
What are the key properties of 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine?
1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 234.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 62721619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).