(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine

C10H18N4 — CID 125455275

IUPAC(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine
SMILESCC[C@@H](C)n1nnc2c1C[C@H](N)CC2
InChIInChI=1S/C10H18N4/c1-3-7(2)14-10-6-8(11)4-5-9(10)12-13-14/h7-8H,3-6,11H2,1-2H3/t7-,8-/m1/s1
InChIKeyAMBUQQFVEXUABC-HTQZYQBOSA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds2

About (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine

(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine (PubChem CID 125455275) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine.

Molecular Properties

Compound Name(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine
PubChem CID125455275
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine
SMILESCC[C@@H](C)n1nnc2c1C[C@H](N)CC2
InChIInChI=1S/C10H18N4/c1-3-7(2)14-10-6-8(11)4-5-9(10)12-13-14/h7-8H,3-6,11H2,1-2H3/t7-,8-/m1/s1
InChIKeyAMBUQQFVEXUABC-HTQZYQBOSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The IUPAC name of (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine (CID 125455275) is (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine.
What is the SMILES notation for (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The canonical SMILES for (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine is CC[C@@H](C)n1nnc2c1C[C@H](N)CC2.
What is the InChIKey of (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The InChIKey is AMBUQQFVEXUABC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-7(2)14-10-6-8(11)4-5-9(10)12-13-14/h7-8H,3-6,11H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine?
(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine has a molecular weight of 194.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine is sourced from PubChem (CID 125455275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).