5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine

C13H16Cl2N6 — CID 78318173

IUPAC5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NC3CCNCC3)n[nH]2)c1
InChIInChI=1S/C13H16Cl2N6/c14-8-5-9(15)7-11(6-8)18-13-19-12(20-21-13)17-10-1-3-16-4-2-10/h5-7,10,16H,1-4H2,(H3,17,18,19,20,21)
InChIKeyCVFCIDHPFCNKAN-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.02
Rot. Bonds4

About 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine

5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 78318173) has the molecular formula C13H16Cl2N6 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine
PubChem CID78318173
Molecular FormulaC13H16Cl2N6
Molecular Weight327.22 g/mol
Exact Mass326.08
IUPAC Name5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NC3CCNCC3)n[nH]2)c1
InChIInChI=1S/C13H16Cl2N6/c14-8-5-9(15)7-11(6-8)18-13-19-12(20-21-13)17-10-1-3-16-4-2-10/h5-7,10,16H,1-4H2,(H3,17,18,19,20,21)
InChIKeyCVFCIDHPFCNKAN-UHFFFAOYSA-N
XLogP3.02
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine with MolForge

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Related Compounds

N3-(3-chlorophenyl)-4H-1,2,4-triazole-3,5-diamine
CID 2730436
3-[4-(3-chlorophenyl)piperazino]-1H-1,2,4-triazol-5-amine
CID 1474429
5-[4-(4-chlorophenyl)piperazino]-1H-1,2,4-triazol-3-amine
CID 1485882
N~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 720561
N-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-amine
CID 2766488
Tert-butyl 4-(3-(3,5-dichlorophenylamino)-1H-1,2,4-triazol-5-ylamino)piperidine-1-carboxylate
CID 78318172
N5-benzyl-N3-(3,5-dichlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 78318959
N*3*-(3,5-Dichloro-phenyl)-N*5*-(1-methanesulfonyl-piperidin-4-yl)-1H-[1,2,4]triazole-3,5-diamine
CID 78318171
1-{4-[5-(3,5-Dichloro-phenylamino)-2H-[1,2,4]triazol-3-ylamino]-piperidin-1-yl}-ethanone
CID 78318174
3-N-(3-chloro-5-fluorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 72714793
(3,5-Dichloro-4-fluoro-phenyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 86295421
(3,5-Dichloro-4-fluoro-phenyl)-(5-morpholin-4-yl-1H-[1,2,4]triazol-3-yl)-amine
CID 86295424

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine (CID 78318173) is 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine is Clc1cc(Cl)cc(Nc2nc(NC3CCNCC3)n[nH]2)c1.
What is the InChIKey of 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is CVFCIDHPFCNKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N6/c14-8-5-9(15)7-11(6-8)18-13-19-12(20-21-13)17-10-1-3-16-4-2-10/h5-7,10,16H,1-4H2,(H3,17,18,19,20,21).
What are the key properties of 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine?
5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 327.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dichlorophenyl)-3-N-piperidin-4-yl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 78318173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).