(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine

C8H14N4 — CID 154021087

IUPAC(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine
SMILESCN1C[C@@H](N)CCn2nccc21
InChIInChI=1S/C8H14N4/c1-11-6-7(9)3-5-12-8(11)2-4-10-12/h2,4,7H,3,5-6,9H2,1H3/t7-/m0/s1
InChIKeyOIRAGKDUPHGABG-ZETCQYMHSA-N
MW166.23 g/mol
LogP0.05
Rot. Bonds

About (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine

(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine (PubChem CID 154021087) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine.

Molecular Properties

Compound Name(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine
PubChem CID154021087
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine
SMILESCN1C[C@@H](N)CCn2nccc21
InChIInChI=1S/C8H14N4/c1-11-6-7(9)3-5-12-8(11)2-4-10-12/h2,4,7H,3,5-6,9H2,1H3/t7-/m0/s1
InChIKeyOIRAGKDUPHGABG-ZETCQYMHSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
CID 55284769
4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
CID 145225486
1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 82400789
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
1-(2-ethylpyrazol-3-yl)azepan-4-amine
CID 141313386
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 59627409
1-(2-cyclopropyl-4-pyridinyl)pyrrolidin-3-amine
CID 83832269
1-methyl-2-(1,2-oxazol-5-yl)piperidin-4-amine
CID 82408264
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296

Frequently Asked Questions

What is the IUPAC name of (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine?
The IUPAC name of (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine (CID 154021087) is (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine.
What is the SMILES notation for (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine?
The canonical SMILES for (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine is CN1C[C@@H](N)CCn2nccc21.
What is the InChIKey of (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine?
The InChIKey is OIRAGKDUPHGABG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-6-7(9)3-5-12-8(11)2-4-10-12/h2,4,7H,3,5-6,9H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine?
(6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-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 (6S)-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-amine is sourced from PubChem (CID 154021087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).