N,N-ditert-butyl-2H-tetrazol-5-amine

C9H19N5 — CID 86012991

IUPACN,N-ditert-butyl-2H-tetrazol-5-amine
SMILESCC(C)(C)N(c1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C9H19N5/c1-8(2,3)14(9(4,5)6)7-10-12-13-11-7/h1-6H3,(H,10,11,12,13)
InChIKeySQRKCMJRCSWWGP-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.60
Rot. Bonds1

About N,N-ditert-butyl-2H-tetrazol-5-amine

N,N-ditert-butyl-2H-tetrazol-5-amine (PubChem CID 86012991) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N,N-ditert-butyl-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN,N-ditert-butyl-2H-tetrazol-5-amine
PubChem CID86012991
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN,N-ditert-butyl-2H-tetrazol-5-amine
SMILESCC(C)(C)N(c1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C9H19N5/c1-8(2,3)14(9(4,5)6)7-10-12-13-11-7/h1-6H3,(H,10,11,12,13)
InChIKeySQRKCMJRCSWWGP-UHFFFAOYSA-N
XLogP1.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methylpropyl)-2H-tetrazol-5-amine
CID 223456
N-tert-butyl-N-ethyl-2H-1,2,3,4-tetrazol-5-amine
CID 138428105
n-Methyl-n-(2-methylbutan-2-yl)-1h-1,2,3,4-tetrazol-5-amine
CID 164651691

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-2H-tetrazol-5-amine?
The IUPAC name of N,N-ditert-butyl-2H-tetrazol-5-amine (CID 86012991) is N,N-ditert-butyl-2H-tetrazol-5-amine.
What is the SMILES notation for N,N-ditert-butyl-2H-tetrazol-5-amine?
The canonical SMILES for N,N-ditert-butyl-2H-tetrazol-5-amine is CC(C)(C)N(c1nn[nH]n1)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-2H-tetrazol-5-amine?
The InChIKey is SQRKCMJRCSWWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-8(2,3)14(9(4,5)6)7-10-12-13-11-7/h1-6H3,(H,10,11,12,13).
What are the key properties of N,N-ditert-butyl-2H-tetrazol-5-amine?
N,N-ditert-butyl-2H-tetrazol-5-amine has a molecular weight of 197.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2H-tetrazol-5-amine is sourced from PubChem (CID 86012991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).