1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide

C10H17N7O2S — CID 106093615

IUPAC1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2cnn(CCCN)c2)n1
InChIInChI=1S/C10H17N7O2S/c1-16-8-12-10(15-16)6-14-20(18,19)9-5-13-17(7-9)4-2-3-11/h5,7-8,14H,2-4,6,11H2,1H3
InChIKeySPHLDHGAQDEZRR-UHFFFAOYSA-N
MW299.36 g/mol
LogP-1.16
Rot. Bonds7

About 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 106093615) has the molecular formula C10H17N7O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID106093615
Molecular FormulaC10H17N7O2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC Name1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2cnn(CCCN)c2)n1
InChIInChI=1S/C10H17N7O2S/c1-16-8-12-10(15-16)6-14-20(18,19)9-5-13-17(7-9)4-2-3-11/h5,7-8,14H,2-4,6,11H2,1H3
InChIKeySPHLDHGAQDEZRR-UHFFFAOYSA-N
XLogP-1.16
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
CID 106001877
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106411125
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
4-(cyanomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883887
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 106093615) is 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide is Cn1cnc(CNS(=O)(=O)c2cnn(CCCN)c2)n1.
What is the InChIKey of 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is SPHLDHGAQDEZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2S/c1-16-8-12-10(15-16)6-14-20(18,19)9-5-13-17(7-9)4-2-3-11/h5,7-8,14H,2-4,6,11H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106093615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).