(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine

C10H18N4 — CID 112711134

IUPAC(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
SMILESCN1CCc2nn(C)c(CN)c2CC1
InChIInChI=1S/C10H18N4/c1-13-5-3-8-9(4-6-13)12-14(2)10(8)7-11/h3-7,11H2,1-2H3
InChIKeyVLAHQNAJHKQFHU-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.09
Rot. Bonds1

About (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine

(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine (PubChem CID 112711134) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
PubChem CID112711134
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
SMILESCN1CCc2nn(C)c(CN)c2CC1
InChIInChI=1S/C10H18N4/c1-13-5-3-8-9(4-6-13)12-14(2)10(8)7-11/h3-7,11H2,1-2H3
InChIKeyVLAHQNAJHKQFHU-UHFFFAOYSA-N
XLogP-0.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711117
(2-cyclopentyl-6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)methanamine
CID 105495336
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
(2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)methanamine
CID 83862863
N-methyl-1-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 83862498
3-ethyl-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine
CID 166789344
2-ethyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105439070
2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
CID 83919698
2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
[2-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanamine
CID 105461216
2-methyl-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907276
N-methyl-1-(2-methyl-4,5,7,8-tetrahydrothiepino[4,5-c]pyrazol-3-yl)methanamine
CID 112711780

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine?
The IUPAC name of (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine (CID 112711134) is (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine is CN1CCc2nn(C)c(CN)c2CC1.
What is the InChIKey of (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine?
The InChIKey is VLAHQNAJHKQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-13-5-3-8-9(4-6-13)12-14(2)10(8)7-11/h3-7,11H2,1-2H3.
What are the key properties of (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine?
(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine is sourced from PubChem (CID 112711134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).