5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine

C17H21N6+ — CID 4739611

IUPAC5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine
SMILESC[NH+]1CCc2c(c(NCc3ccccc3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C17H20N6/c1-23-8-7-12-13(10-23)16(19-9-11-5-3-2-4-6-11)20-17-14(12)15(18)21-22-17/h2-6H,7-10H2,1H3,(H4,18,19,20,21,22)/p+1
InChIKeyQAMJZEHUFZWIEF-UHFFFAOYSA-O
MW309.40 g/mol
LogP0.72
Rot. Bonds3

About 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine

5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine (PubChem CID 4739611) has the molecular formula C17H21N6+ and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine
PubChem CID4739611
Molecular FormulaC17H21N6+
Molecular Weight309.40 g/mol
Exact Mass309.18
IUPAC Name5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine
SMILESC[NH+]1CCc2c(c(NCc3ccccc3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C17H20N6/c1-23-8-7-12-13(10-23)16(19-9-11-5-3-2-4-6-11)20-17-14(12)15(18)21-22-17/h2-6H,7-10H2,1H3,(H4,18,19,20,21,22)/p+1
InChIKeyQAMJZEHUFZWIEF-UHFFFAOYSA-O
XLogP0.72
TPSA84.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
CID 4974193
5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
CID 46887767
4-(benzylamino)-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepine-2-thione
CID 117102430
4-(benzylamino)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2-thione
CID 117101632
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102079
6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
CID 10546397
3-N-benzyl-6-bromopyridine-2,3-diamine
CID 121384108
2-N-benzyl-4,6-dimethylpyridine-2,3-diamine
CID 70993735
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-benzyl-2-fluoro-7H-purin-9-ium-6-amine
CID 123941922
4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 20666587

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine?
The IUPAC name of 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine (CID 4739611) is 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine.
What is the SMILES notation for 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine?
The canonical SMILES for 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine is C[NH+]1CCc2c(c(NCc3ccccc3)nc3n[nH]c(N)c23)C1.
What is the InChIKey of 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine?
The InChIKey is QAMJZEHUFZWIEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N6/c1-23-8-7-12-13(10-23)16(19-9-11-5-3-2-4-6-11)20-17-14(12)15(18)21-22-17/h2-6H,7-10H2,1H3,(H4,18,19,20,21,22)/p+1.
What are the key properties of 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine?
5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine has a molecular weight of 309.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-7-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium-1,5-diamine is sourced from PubChem (CID 4739611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).