5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine

C9H16N4 — CID 83863716

IUPAC5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc2c(c1N)CC(CN)CC2
InChIInChI=1S/C9H16N4/c1-13-9(11)7-4-6(5-10)2-3-8(7)12-13/h6H,2-5,10-11H2,1H3
InChIKeyYPRMBFAFNJONFW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.07
Rot. Bonds1

About 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine

5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 83863716) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID83863716
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc2c(c1N)CC(CN)CC2
InChIInChI=1S/C9H16N4/c1-13-9(11)7-4-6(5-10)2-3-8(7)12-13/h6H,2-5,10-11H2,1H3
InChIKeyYPRMBFAFNJONFW-UHFFFAOYSA-N
XLogP0.07
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
CID 82276910
[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425784
2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
CID 83919698
[2-(2,6-dimethyl-4-pyridinyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107504552
[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81426125
2-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)ethanamine
CID 83434456
[4-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425186
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81424289
[4-methyl-2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 115531306

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine (CID 83863716) is 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine is Cn1nc2c(c1N)CC(CN)CC2.
What is the InChIKey of 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is YPRMBFAFNJONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-9(11)7-4-6(5-10)2-3-8(7)12-13/h6H,2-5,10-11H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 83863716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).