N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine

C12H22N8S — CID 56825558

IUPACN,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCCCn1nnnc1CSc1nnc(N(C)C)n1C(C)C
InChIInChI=1S/C12H22N8S/c1-6-7-19-10(13-16-17-19)8-21-12-15-14-11(18(4)5)20(12)9(2)3/h9H,6-8H2,1-5H3
InChIKeyDDUJVBSZJUQDIP-UHFFFAOYSA-N
MW310.43 g/mol
LogP1.61
Rot. Bonds7

About N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine

N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine (PubChem CID 56825558) has the molecular formula C12H22N8S and a molecular weight of 310.43 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
PubChem CID56825558
Molecular FormulaC12H22N8S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC NameN,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCCCn1nnnc1CSc1nnc(N(C)C)n1C(C)C
InChIInChI=1S/C12H22N8S/c1-6-7-19-10(13-16-17-19)8-21-12-15-14-11(18(4)5)20(12)9(2)3/h9H,6-8H2,1-5H3
InChIKeyDDUJVBSZJUQDIP-UHFFFAOYSA-N
XLogP1.61
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine (CID 56825558) is N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine is CCCn1nnnc1CSc1nnc(N(C)C)n1C(C)C.
What is the InChIKey of N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The InChIKey is DDUJVBSZJUQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8S/c1-6-7-19-10(13-16-17-19)8-21-12-15-14-11(18(4)5)20(12)9(2)3/h9H,6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine has a molecular weight of 310.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 56825558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).