1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C12H18N6 — CID 103906992

IUPAC1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cnc(CNC2CCCc3c2cnn3C)n1
InChIInChI=1S/C12H18N6/c1-17-8-14-12(16-17)7-13-10-4-3-5-11-9(10)6-15-18(11)2/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyPDSONZWJUQVUOT-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.72
Rot. Bonds3

About 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 103906992) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID103906992
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cnc(CNC2CCCc3c2cnn3C)n1
InChIInChI=1S/C12H18N6/c1-17-8-14-12(16-17)7-13-10-4-3-5-11-9(10)6-15-18(11)2/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyPDSONZWJUQVUOT-UHFFFAOYSA-N
XLogP0.72
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 106393321
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 106391848
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
1-methyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 47350095
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 103906992) is 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1cnc(CNC2CCCc3c2cnn3C)n1.
What is the InChIKey of 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PDSONZWJUQVUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-17-8-14-12(16-17)7-13-10-4-3-5-11-9(10)6-15-18(11)2/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 246.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 103906992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).