N,1-ditert-butyl-1,2,4-triazol-3-amine

C10H20N4 — CID 102597896

IUPACN,1-ditert-butyl-1,2,4-triazol-3-amine
SMILESCC(C)(C)Nc1ncn(C(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-9(2,3)12-8-11-7-14(13-8)10(4,5)6/h7H,1-6H3,(H,12,13)
InChIKeyLEPIZVVDXYHZNP-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.24
Rot. Bonds1

About N,1-ditert-butyl-1,2,4-triazol-3-amine

N,1-ditert-butyl-1,2,4-triazol-3-amine (PubChem CID 102597896) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N,1-ditert-butyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,1-ditert-butyl-1,2,4-triazol-3-amine
PubChem CID102597896
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN,1-ditert-butyl-1,2,4-triazol-3-amine
SMILESCC(C)(C)Nc1ncn(C(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-9(2,3)12-8-11-7-14(13-8)10(4,5)6/h7H,1-6H3,(H,12,13)
InChIKeyLEPIZVVDXYHZNP-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
1-tert-butyl-1H-1,2,4-triazole
CID 498453
1H-1,2,4-Triazol-3-amine, 1-ethyl-
CID 142619
N-tert-Butyl-N',N''-diethyl-N'-[1,2,4]triazol-4-yl-[1,3,5]triazine-2,4,6-triamine
CID 650820
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
1-(propan-2-yl)-1H-1,2,4-triazol-3-amine
CID 60912203
1-tert-butyl-1H-1,2,4-triazol-5-amine
CID 62678660
1-tert-butyl-1H-1,2,4-triazol-3-amine
CID 68176294
1H-1,2,4-Triazol-5-amine, 1-ethyl-
CID 143565
N-ethyl-1-methyl-1,2,4-triazol-3-amine
CID 12523021
N-ethyl-2-methyl-1,2,4-triazol-3-amine
CID 20714760
1-Isopropyl-1H-1,2,4-triazol-5-amine
CID 21129968

Frequently Asked Questions

What is the IUPAC name of N,1-ditert-butyl-1,2,4-triazol-3-amine?
The IUPAC name of N,1-ditert-butyl-1,2,4-triazol-3-amine (CID 102597896) is N,1-ditert-butyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,1-ditert-butyl-1,2,4-triazol-3-amine?
The canonical SMILES for N,1-ditert-butyl-1,2,4-triazol-3-amine is CC(C)(C)Nc1ncn(C(C)(C)C)n1.
What is the InChIKey of N,1-ditert-butyl-1,2,4-triazol-3-amine?
The InChIKey is LEPIZVVDXYHZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2,3)12-8-11-7-14(13-8)10(4,5)6/h7H,1-6H3,(H,12,13).
What are the key properties of N,1-ditert-butyl-1,2,4-triazol-3-amine?
N,1-ditert-butyl-1,2,4-triazol-3-amine has a molecular weight of 196.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-ditert-butyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 102597896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).