naphthalene-1,2,7-triamine

C10H11N3 — CID 19078044

IUPACnaphthalene-1,2,7-triamine
SMILESNc1ccc2ccc(N)c(N)c2c1
InChIInChI=1S/C10H11N3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H,11-13H2
InChIKeyCNCIGUOYJQKMCN-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.59
Rot. Bonds

About naphthalene-1,2,7-triamine

naphthalene-1,2,7-triamine (PubChem CID 19078044) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is naphthalene-1,2,7-triamine.

Molecular Properties

Compound Namenaphthalene-1,2,7-triamine
PubChem CID19078044
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Namenaphthalene-1,2,7-triamine
SMILESNc1ccc2ccc(N)c(N)c2c1
InChIInChI=1S/C10H11N3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H,11-13H2
InChIKeyCNCIGUOYJQKMCN-UHFFFAOYSA-N
XLogP1.59
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromophenanthren-3-amine
CID 163359562
ethane;6-methylphenanthren-3-amine
CID 144939359
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-5,19-diamine
CID 176729850
7-aminonaphthalene-1-thiol
CID 4713131
12-oxido-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-8,16-diamine
CID 163958266
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
3-nitronaphthalene-1,7-diamine
CID 142394174
naphthalen-1-amine;naphthalen-2-amine
CID 70377972
1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride
CID 70555479
anthracene-2,9,10-triamine
CID 46872427
benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,7-triamine?
The IUPAC name of naphthalene-1,2,7-triamine (CID 19078044) is naphthalene-1,2,7-triamine.
What is the SMILES notation for naphthalene-1,2,7-triamine?
The canonical SMILES for naphthalene-1,2,7-triamine is Nc1ccc2ccc(N)c(N)c2c1.
What is the InChIKey of naphthalene-1,2,7-triamine?
The InChIKey is CNCIGUOYJQKMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-7-3-1-6-2-4-9(12)10(13)8(6)5-7/h1-5H,11-13H2.
What are the key properties of naphthalene-1,2,7-triamine?
naphthalene-1,2,7-triamine has a molecular weight of 173.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,7-triamine is sourced from PubChem (CID 19078044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).