6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine

C8H14N4 — CID 165017770

IUPAC6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine
SMILESCN1CCc2cc(N)nn2CC1
InChIInChI=1S/C8H14N4/c1-11-3-2-7-6-8(9)10-12(7)5-4-11/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyLRUPOZPKEWOONV-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.05
Rot. Bonds

About 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine

6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine (PubChem CID 165017770) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine.

Molecular Properties

Compound Name6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine
PubChem CID165017770
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine
SMILESCN1CCc2cc(N)nn2CC1
InChIInChI=1S/C8H14N4/c1-11-3-2-7-6-8(9)10-12(7)5-4-11/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyLRUPOZPKEWOONV-UHFFFAOYSA-N
XLogP-0.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine?
The IUPAC name of 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine (CID 165017770) is 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine.
What is the SMILES notation for 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine?
The canonical SMILES for 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine is CN1CCc2cc(N)nn2CC1.
What is the InChIKey of 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine?
The InChIKey is LRUPOZPKEWOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-3-2-7-6-8(9)10-12(7)5-4-11/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine?
6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine has a molecular weight of 166.23 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine is sourced from PubChem (CID 165017770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).